data_1wpk_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 1wpk _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 ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.405 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CE1' ' N ' ' A' ' 68' ' ' PRO . 5.0 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.607 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.444 ' CB ' HG21 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' CE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.404 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.404 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.4 HG13 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.433 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' CE1' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' OE1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.416 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.402 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ASP . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.71 0.291 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 37' ' ' PHE . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 29.9 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.699 0.285 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' HG21 ' A' ' 16' ' ' VAL . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.432 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.414 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.2 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.8 p . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.407 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.417 ' CH2' HG12 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.452 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.466 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 37' ' ' PHE . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.443 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.456 ' HB2' HG13 ' A' ' 28' ' ' VAL . 11.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.591 0.234 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' CH2' ' A' ' 13' ' ' TRP . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.444 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.408 ' CB ' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.444 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CE1' HG22 ' A' ' 124' ' ' THR . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 120' ' ' PHE . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CE3' ' CD2' ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.47 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD2' ' CE3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.407 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' ILE . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.432 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' CG ' ' CB ' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.404 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.792 0.33 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.429 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.407 HG12 ' HB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 18.9 p90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.448 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.408 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.455 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.717 0.294 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.42 ' HA ' HG23 ' A' ' 16' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 27' ' ' PHE . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' A' ' 37' ' ' PHE . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.452 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 10.4 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.402 HG12 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.417 ' CH2' HD22 ' A' ' 94' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.309 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.447 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.3 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.557 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 120.483 0.182 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.406 ' HE3' ' CD2' ' A' ' 115' ' ' HIS . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.406 ' CD2' ' HE3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.422 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.451 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 28.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 2.3 mpt_? . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 120.595 0.236 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.449 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' PHE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HA ' ' CG1' ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 106' ' ' ALA . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . 0.417 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . 0.417 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.41 ' C ' ' CD2' ' A' ' 27' ' ' PHE . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.433 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 29.6 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.452 ' CG2' ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.417 ' CD1' HD11 ' A' ' 17' ' ' LEU . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 13' ' ' TRP . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 27' ' ' PHE . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 34' ' ' THR . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 10.9 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.401 0.143 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.45 ' CG1' ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.402 HG22 ' CB ' ' A' ' 55' ' ' TYR . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 5.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.617 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HD3' ' HB3' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 9.0 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.622 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.434 0.159 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.409 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' MET . . . . . 0.424 ' HE1' ' CG ' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . 0.424 ' CG ' ' HE1' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.04 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -66.48 99.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.82 169.71 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.3 p -69.93 -179.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.445 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m -70.09 -172.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.407 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -86.36 -9.43 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.803 -179.506 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.34 171.87 19.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 111.071 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -70.16 -35.42 74.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -41.64 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.462 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.462 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.444 HG21 ' CB ' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.405 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CE1' ' N ' ' A' ' 68' ' ' PRO . 5.0 p90 -122.31 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.42 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.607 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 -48.28 172.39 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.263 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.607 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.404 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.444 ' CB ' HG21 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.401 ' O ' ' CE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.425 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.416 ' HB3' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.404 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -116.49 32.51 6.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 55.34 84.4 0.21 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.307 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -78.88 -46.23 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.554 2.169 . . . . 0.0 112.271 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 179.95 122.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.722 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 61.7 97.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.99 -75.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.09 127.87 33.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.11 -37.77 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.54 -62.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.07 86.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.408 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -177.08 124.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.404 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.415 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.63 93.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 5.7 m0 -63.41 -45.57 90.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.781 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -39.63 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.64 -33.11 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -35.07 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -71.55 -31.15 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 24.6 tp -81.74 -44.0 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -69.11 -30.76 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.66 -19.77 62.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.55 31.36 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 58.46 31.33 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -87.27 145.31 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.834 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.33 -77.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -80.58 145.65 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.72 161.33 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -100.9 53.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 73.05 5.63 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.626 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.1 OUTLIER 76.49 -18.27 0.49 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.53 167.55 29.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.96 -42.68 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.303 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.81 -43.98 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.497 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CH2' HG13 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.497 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.421 ' CB ' ' O ' ' A' ' 38' ' ' SMC . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.433 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.424 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 -116.46 123.49 47.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.421 ' O ' ' CB ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.589 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 -47.64 171.07 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.589 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.439 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.4 HG13 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.433 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p -135.67 39.15 2.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 58.86 85.17 0.19 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.51 -172.61 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.62 2.213 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -97.37 173.61 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -143.23 129.85 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.25 -48.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 36.1 m120 60.31 91.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.54 -63.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -125.41 80.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 153.91 42.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -113.82 151.63 31.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.29 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -64.83 -44.82 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -66.45 -41.02 89.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.73 71.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -33.86 76.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.91 -31.73 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 8.3 mp -81.38 -34.37 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -73.22 -37.79 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.76 -31.27 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 t -110.24 104.57 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -139.62 125.7 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.819 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.86 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -136.97 124.58 22.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 92.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.08 148.08 26.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.9 m -72.57 137.34 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.465 ' CB ' ' HB2' ' A' ' 11' ' ' GLN . 0.8 OUTLIER -114.91 -49.93 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 63.81 32.02 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.492 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 3.9 p -136.89 177.79 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.746 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.5 -25.88 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.618 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.64 -42.53 67.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 HG23 ' CE1' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' OE1' ' CE2' ' A' ' 27' ' ' PHE . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.409 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.487 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.515 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 -117.42 123.13 45.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.482 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 -47.58 170.74 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.422 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.416 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.515 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.7 -38.89 2.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.8 96.93 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.744 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.49 45.31 1.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.725 2.283 . . . . 0.0 113.098 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 57.8 112.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 111.252 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.77 102.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.4 173.71 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -130.27 30.98 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.73 117.67 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.32 30.3 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.28 122.0 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -135.33 34.34 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.41 ' CE1' HG22 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.41 HG22 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.5 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -63.46 -47.17 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.6 ttp-105 -61.31 -43.25 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.43 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.66 -32.62 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -33.54 72.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.78 -40.23 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -74.19 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.62 38.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.18 146.47 26.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 tt 60.72 84.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.16 152.83 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.82 -50.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -83.84 123.59 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -85.35 153.56 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -100.45 -41.72 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -174.67 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 70.8 4.71 5.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.41 167.75 28.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.625 179.789 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -32.21 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.56 -44.27 64.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.217 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.44 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.456 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.402 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.404 ' C ' ' CD1' ' A' ' 27' ' ' PHE . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.456 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 -115.11 119.94 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.4 ' O ' ' CB ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.58 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 -45.88 169.71 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.58 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.449 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.434 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.402 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.431 ' CD1' ' HB1' ' A' ' 61' ' ' ALA . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.431 ' HB1' ' CD1' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.434 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -136.58 37.98 2.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 57.73 81.76 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.452 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 36.4 Cg_endo -68.27 -79.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.415 2.076 . . . . 0.0 112.471 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -121.77 -40.78 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 173.38 15.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.35 166.82 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -117.22 136.44 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.78 -41.85 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -166.8 105.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 111.68 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -177.03 155.88 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.443 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 85' ' ' ASP . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.415 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . 0.404 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.69 -48.1 82.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.404 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 4.6 m0 -70.05 -47.73 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.1 -40.76 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.47 -50.82 49.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -60.62 -29.57 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -72.7 -28.7 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 -30.73 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.081 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -50.21 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.89 -35.95 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 t 59.77 109.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.63 107.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -109.52 150.92 27.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -100.56 31.08 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -105.98 116.33 31.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.87 133.52 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -75.36 -74.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.61 -62.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.14 8.06 5.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.72 166.87 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.79 -35.58 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.55 -44.09 65.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.213 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.437 ' HG3' ' CD2' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' CD2' ' HG3' ' A' ' 12' ' ' ARG . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 HG11 ' HB2' ' A' ' 37' ' ' PHE . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.4 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.454 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 29.9 p90 -143.29 124.53 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.581 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 -48.94 172.57 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.304 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.581 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.402 ' O ' ' CE1' ' A' ' 29' ' ' PHE . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' HB2' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p -125.19 28.12 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 61.58 90.07 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.194 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.01 -168.02 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.686 2.258 . . . . 0.0 112.28 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -95.56 164.53 12.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.5 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -51.27 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.7 129.8 36.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.01 -68.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.25 103.28 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -169.31 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.07 -37.08 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.408 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.408 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.89 98.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -73.89 -35.93 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -47.32 80.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.98 73.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -31.29 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.88 -32.27 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -85.27 -31.86 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -70.8 -31.85 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -32.34 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.7 t -80.31 -66.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.67 119.37 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.22 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.769 0.319 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 99.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -89.06 130.73 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.5 p -133.35 24.45 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.9 m 55.44 173.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -54.28 -25.28 22.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.032 179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -158.29 159.69 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -29.5 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.61 -39.47 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.419 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.471 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.433 ' HA ' HG21 ' A' ' 16' ' ' VAL . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.414 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.471 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 38' ' ' SMC . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.414 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.484 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 8.2 p90 -150.31 135.74 18.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.434 ' O ' ' CG1' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.566 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 -49.1 171.37 0.11 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.006 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.566 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 72' ' ' CYS . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.414 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.415 ' HB2' ' HB ' ' A' ' 28' ' ' VAL . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.415 ' HA ' ' CE1' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.447 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' HB2' ' CG2' ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.414 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 42' ' ' CYS . 2.8 p -129.63 31.71 4.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 56.47 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -73.48 -44.24 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.493 2.129 . . . . 0.0 112.391 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 -45.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -139.97 -49.67 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.36 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -121.43 119.32 31.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.1 87.51 2.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 61.39 110.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.23 137.1 24.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.07 131.83 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.407 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.407 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.53 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -48.08 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.01 -30.53 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.22 -34.0 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.53 -30.84 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -75.37 -27.37 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -42.44 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.84 68.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -110.44 31.13 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.74 -42.87 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.6 158.82 43.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -108.54 105.6 15.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.679 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -145.12 103.82 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -87.48 122.41 31.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -70.83 99.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -154.13 147.86 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m -65.88 -173.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -82.96 -11.18 58.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.475 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.2 171.76 19.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.77 -34.28 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.57 -43.5 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.417 ' CH2' HG12 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.432 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.466 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.456 HG13 ' HB2' ' A' ' 37' ' ' PHE . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.443 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.443 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.456 ' HB2' HG13 ' A' ' 28' ' ' VAL . 11.9 p90 -147.49 134.16 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.421 ' O ' ' CG1' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.53 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? -44.67 170.54 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.796 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.53 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.414 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.438 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.466 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 HG12 ' CH2' ' A' ' 13' ' ' TRP . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.41 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.444 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.408 ' CB ' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.444 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.438 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -126.83 32.84 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 59.81 112.1 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.477 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.421 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 97.1 Cg_endo -78.96 174.54 12.05 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.583 2.189 . . . . 0.0 112.418 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 103.57 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 59.77 103.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.69 33.89 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.16 110.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.23 106.96 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 60.2 96.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -146.1 -177.12 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.41 106.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.401 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.401 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.407 ' CE1' HG22 ' A' ' 124' ' ' THR . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.407 HG22 ' CE1' ' A' ' 120' ' ' PHE . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.17 98.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -65.53 -41.92 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -31.65 61.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.1 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -72.33 -31.5 65.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.79 -31.35 59.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 tt -82.26 -32.33 29.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -34.24 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.1 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 m 59.6 167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -67.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.42 154.6 21.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.7 95.66 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -97.94 165.72 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.67 169.74 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p 56.22 173.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.5 m -76.71 -166.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' CD1' ' HG2' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -84.53 -20.16 32.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.603 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.411 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -158.25 167.36 29.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.377 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -34.25 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -43.65 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.506 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.415 ' HG2' ' CD1' ' A' ' 7' ' ' LEU . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.45 ' CE3' ' CD2' ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.47 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.45 ' CD2' ' CE3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.432 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' SMC . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.481 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HA ' ' O ' ' A' ' 36' ' ' ILE . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' O ' ' HA ' ' A' ' 30' ' ' ALA . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 -150.25 122.45 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.506 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.624 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 -48.57 172.38 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.377 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.624 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.432 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.506 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -40.74 2.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -176.61 86.75 0.27 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.3 126.08 19.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.4 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.72 -38.23 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -82.81 95.01 7.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.28 -45.93 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -84.47 96.51 9.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.06 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.53 103.69 6.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -140.82 29.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -110.17 -31.96 7.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.41 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.76 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -63.43 -43.28 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -68.77 -38.79 80.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.46 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -67.1 -31.13 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -34.18 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -45.86 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -42.58 66.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.38 41.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.6 p -79.55 133.29 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.5 tp 61.03 79.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.78 160.33 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.84 0.352 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -107.94 -66.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -100.29 144.14 29.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.86 154.01 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.189 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 p -159.78 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.478 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 52.9 m -133.63 -80.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.784 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HG ' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -170.46 -35.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.401 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -137.45 152.74 49.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.691 -179.032 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.53 -28.57 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -43.61 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.467 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.42 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' CG ' ' CB ' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.459 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.404 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.506 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 -125.48 133.58 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.588 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 -53.96 175.43 0.15 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.615 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.588 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.419 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.409 HG13 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.4 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.404 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -119.08 33.39 5.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 61.47 89.37 0.11 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.343 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.68 -167.28 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.578 2.186 . . . . 0.0 112.136 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 85.04 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.989 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.84 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.08 167.71 29.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -95.53 90.84 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.91 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -152.39 93.37 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -166.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -119.65 -63.83 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . 0.42 ' HB3' ' CE3' ' A' ' 135' ' ' TRP . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.22 -40.4 59.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.42 ' CE3' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -63.88 -44.23 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -68.89 -41.18 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.79 -33.54 72.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -71.02 -33.07 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -30.8 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 tp -86.37 -33.95 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -77.43 -31.39 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.78 40.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.05 -179.8 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.89 99.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.84 132.04 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.887 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -145.87 109.69 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.61 132.42 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -107.99 157.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.51 161.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.1 m -79.62 -70.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.9 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.71 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.487 -179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -137.87 172.53 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 -179.077 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.93 -36.49 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.302 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.42 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' HB2' HG23 ' A' ' 8' ' ' THR . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.504 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.429 HG21 ' CZ ' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.454 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 52' ' ' VAL . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.407 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.407 HG12 ' HB ' ' A' ' 34' ' ' THR . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 18.9 p90 -115.83 122.69 46.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.495 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.562 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 -47.89 169.4 0.13 Allowed Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.407 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.562 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.448 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.402 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.455 ' CD2' ' HB1' ' A' ' 61' ' ' ALA . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.455 ' HB1' ' CD2' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.495 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p -95.43 17.98 13.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 62.07 143.86 0.06 OUTLIER Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.04 -37.77 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.525 2.15 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -161.71 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.57 -71.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.11 -178.41 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.61 -54.67 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.59 -176.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 100.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -129.15 -170.3 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 60.02 29.34 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.411 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.411 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.82 -43.04 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -71.78 -38.36 70.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.9 mtm180 -69.76 -40.32 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.43 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -74.91 -32.65 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.7 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -79.41 -43.89 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -71.45 -37.56 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.89 37.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.2 m -77.52 118.72 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.45 143.7 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.888 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.86 136.15 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -93.89 122.42 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.96 30.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.0 t -76.32 -47.51 23.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.478 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 68.1 m -101.65 -81.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.147 0.499 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.478 ' HG ' ' C ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -171.07 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.128 -179.632 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.412 ' CG2' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -138.66 161.09 38.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.521 -179.175 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -71.78 -28.75 63.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.66 -40.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.403 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.502 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.42 ' HA ' HG23 ' A' ' 16' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.449 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' OE1' ' CZ ' ' A' ' 27' ' ' PHE . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.502 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.434 HG11 ' HB2' ' A' ' 37' ' ' PHE . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.449 ' CE1' ' CG2' ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.452 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.452 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 10.4 p90 -146.56 133.45 20.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.437 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.595 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 -46.5 170.23 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.506 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.595 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.402 HG12 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.413 ' O ' ' N ' ' A' ' 37' ' ' PHE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.437 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.4 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p -92.2 15.96 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 61.41 146.89 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 111.187 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.77 -43.39 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.628 2.219 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -160.19 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.89 -178.1 0.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.2 -56.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -76.29 128.41 34.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.13 -46.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.32 89.39 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.44 95.8 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -112.18 -30.3 7.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.417 HD22 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.417 ' CH2' HD22 ' A' ' 94' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.2 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -66.41 -42.88 87.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -38.09 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.97 -33.14 67.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -75.04 -31.95 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -31.71 68.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -35.29 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.22 84.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.81 -34.47 71.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.5 86.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.7 tp -98.79 -33.56 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -116.29 -56.84 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.57 131.74 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.36 144.79 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -151.85 -66.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 52.7 m -112.24 -73.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.092 0.473 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 175.5 -31.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 -179.221 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.38 165.62 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.654 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -29.91 64.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.53 -43.79 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.41 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 HG21 ' CE2' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.403 ' O ' ' CG ' ' A' ' 19' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.413 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.447 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.3 p90 -144.58 125.55 14.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.557 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 -46.36 169.45 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.551 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.557 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.407 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -131.11 28.27 4.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.45 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.281 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -75.43 -168.5 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.331 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -80.13 -31.65 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -152.92 100.75 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.89 -76.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -101.9 126.51 48.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.46 -44.09 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.7 91.71 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -145.56 124.9 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -113.41 -36.39 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.406 ' HE3' ' CD2' ' A' ' 115' ' ' HIS . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.406 ' CD2' ' HE3' ' A' ' 111' ' ' MET . 0.1 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.422 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.48 80.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 136' ' ' ARG . 28.2 p-90 -74.38 -36.38 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 10.3 ttp180 -64.91 -52.93 53.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.72 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.239 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.72 60.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -29.93 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.3 mt -83.74 -32.58 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -35.48 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -31.21 58.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.55 143.91 38.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.47 96.06 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.31 139.28 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.886 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -151.31 138.93 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -82.51 155.87 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -74.59 100.22 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -167.91 133.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -127.65 -42.43 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 63.22 29.68 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 0.0 110.576 -179.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 1.3 p -136.36 176.39 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.14 -23.61 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.584 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.02 -44.4 65.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.427 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.454 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG1' ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.405 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.422 ' N ' ' HB3' ' A' ' 40' ' ' PRO . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.419 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG1' ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.451 HG12 ' HB ' ' A' ' 34' ' ' THR . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 28.7 p90 -147.99 126.1 12.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.501 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 2.3 mpt_? -43.4 168.44 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.875 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.501 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.449 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 37' ' ' PHE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.4 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -133.88 33.75 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 64.71 103.45 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.504 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.424 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.27 170.65 15.51 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.598 2.198 . . . . 0.0 112.457 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -109.56 -35.55 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.84 87.0 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.23 145.87 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.96 87.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.63 128.42 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.07 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 96.59 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -97.91 35.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.403 ' HA ' ' CG1' ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . 0.403 ' CG1' ' HA ' ' A' ' 106' ' ' ALA . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . 0.417 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . 0.417 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -63.74 -35.99 82.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -73.4 -33.11 64.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -31.66 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -36.3 24.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -39.9 87.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -97.87 -55.05 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.59 -70.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.13 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -96.48 118.16 32.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.35 91.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 92.71 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.31 117.94 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -77.97 -63.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.351 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 178.63 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.73 0.3 . . . . 0.0 111.099 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.414 ' HB2' ' O ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER 73.37 1.5 4.0 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.849 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.431 ' CG2' ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.51 168.99 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.796 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.08 -36.73 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.726 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -44.16 65.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.431 ' HB2' ' CG2' ' A' ' 8' ' ' THR . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.516 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' CG2' ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.408 ' CB ' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.41 ' C ' ' CD2' ' A' ' 27' ' ' PHE . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.516 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 38' ' ' SMC . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.45 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 29.6 p90 -122.38 123.47 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.448 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 -46.78 169.75 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.474 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.401 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.452 ' CD2' ' CB ' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.404 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.452 ' CB ' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.4 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.401 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -129.56 26.63 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.64 109.59 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.243 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.94 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.42 2.08 . . . . 0.0 112.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.05 -33.73 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -106.7 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.01 90.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.62 102.78 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.03 -42.42 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -124.2 115.69 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.7 135.37 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -100.98 31.42 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.437 ' CG2' ' HB2' ' A' ' 119' ' ' LEU . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' HB2' ' CG2' ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.452 ' CE1' ' CG2' ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.452 ' CG2' ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.55 66.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -48.06 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -30.84 69.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -37.54 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -75.79 -33.57 60.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.44 -31.9 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -76.27 -29.88 57.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 45.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -98.31 34.22 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.86 90.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.21 153.1 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -168.96 175.23 5.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 129.66 41.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.43 106.02 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -157.25 147.41 20.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -60.0 -178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.47 -23.17 65.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 179.428 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.407 HG22 ' CB ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -158.34 167.7 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.605 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.94 -33.03 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 0.0 110.771 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -40.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.396 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.407 ' CB ' HG22 ' A' ' 8' ' ' THR . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.442 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.417 ' CD1' HD11 ' A' ' 17' ' ' LEU . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG13 ' CE2' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.417 HD11 ' CD1' ' A' ' 13' ' ' TRP . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.414 ' OE1' ' CE2' ' A' ' 27' ' ' PHE . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.442 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.47 ' HA ' ' O ' ' A' ' 38' ' ' SMC . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.44 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLY . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 34' ' ' THR . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 10.9 p90 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.47 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 -46.28 171.8 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.66 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.41 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.441 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.465 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.435 ' CD1' ' HB3' ' A' ' 60' ' ' GLU . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.408 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.441 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p -137.84 38.27 2.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.46 95.78 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.254 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -174.48 2.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.518 2.145 . . . . 0.0 112.393 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -98.5 30.61 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 -56.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.86 173.03 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.51 139.76 49.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 119.96 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 86.93 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -163.57 158.07 20.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.21 28.58 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.402 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.402 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.22 99.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -40.37 67.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.88 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.06 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -33.1 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -73.19 -29.98 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -31.28 45.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -71.58 -50.31 32.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -30.86 68.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -52.2 23.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.03 87.52 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -97.45 137.46 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -139.71 141.99 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.57 107.69 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.7 140.35 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.6 t 45.71 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 10.2 m -73.68 -177.89 2.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 111.165 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -89.89 -10.41 45.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.152 179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -158.21 156.98 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.7 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.434 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -43.88 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.485 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.45 ' CG1' ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.405 ' CB ' ' O ' ' A' ' 38' ' ' SMC . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.489 ' O ' ' HA ' ' A' ' 37' ' ' PHE . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' GLY . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.401 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.414 ' HA ' ' O ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 5.6 p90 -121.89 120.02 33.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.455 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.617 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 -48.14 171.22 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.617 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.44 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HD3' ' HB3' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.422 ' CE2' ' HA ' ' A' ' 61' ' ' ALA . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.455 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.5 40.25 2.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 55.27 94.58 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.16 -44.2 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.583 2.189 . . . . 0.0 112.335 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.2 -66.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -148.32 -61.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.65 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -170.29 147.11 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.29 115.39 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.04 31.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -139.61 -55.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.406 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.406 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.32 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -65.14 -43.26 92.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.5 ttm105 -69.15 -35.98 76.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.79 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -31.59 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.27 66.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -87.45 -29.24 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -60.21 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.089 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -117.63 -28.6 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.8 t 70.27 -65.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.87 128.77 50.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -98.41 117.47 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 20.0 mttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.88 0.372 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? 60.89 37.32 18.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 127.3 33.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.91 138.08 37.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -130.76 151.83 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.475 ' CB ' ' HB2' ' A' ' 11' ' ' GLN . 0.3 OUTLIER -158.32 -43.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 64.63 31.43 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.0 110.439 -179.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.426 ' O ' ' HD3' ' A' ' 12' ' ' ARG . 3.4 p -138.25 177.93 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.966 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -26.61 9.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.513 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 -44.2 65.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.549 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.409 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.433 ' HB2' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.549 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.42 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.513 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 9.0 p90 -148.11 133.97 19.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SMC . . . . . 0.484 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.622 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 -45.65 168.13 0.11 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.636 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.622 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.442 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.409 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.407 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . 0.427 ' CZ ' ' HA ' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' HA ' ' CZ ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.425 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . 0.513 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.484 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' CYS . . . . . 0.442 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p -94.09 21.78 6.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 54.78 98.16 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.679 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.07 82.91 2.18 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.637 2.225 . . . . 0.0 112.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.17 173.89 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -120.77 -166.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.32 155.33 28.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -136.85 164.2 28.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -176.53 -39.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.23 43.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -142.58 150.58 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.04 130.95 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.412 ' CD1' ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.412 ' N ' ' CD1' ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.424 ' HE1' ' CG ' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.424 ' CG ' ' HE1' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.72 -39.41 64.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -35.39 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -31.59 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.28 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -75.75 -32.97 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -33.72 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -39.62 63.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -62.58 -33.78 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.26 -30.36 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m 62.28 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 mp 60.3 32.99 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -80.32 99.35 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.79 HG22 ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 5.0 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.809 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.821 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.88 ' HB2' HG23 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 119' ' ' LEU . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.806 ' N ' HD12 ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.667 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 103' ' ' GLU . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.713 ' HG3' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 106' ' ' ALA . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.581 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 105' ' ' LEU . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.876 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.667 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.815 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.777 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 48' ' ' LEU . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.815 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' VAL . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.654 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.691 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.75 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.75 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 105' ' ' LEU . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 105' ' ' LEU . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 101' ' ' THR . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 HD12 ' A' ' 94' ' ' LEU . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 111' ' ' MET . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.535 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 87' ' ' ILE . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 124' ' ' THR . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 123' ' ' THR . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.492 ' HG ' ' HZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.932 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.682 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG23 ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.609 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.904 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.725 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.764 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.811 ' HA ' HD21 ' A' ' 119' ' ' LEU . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.834 ' CD1' HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.54 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 98' ' ' THR . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 90' ' ' ALA . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 106' ' ' ALA . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' CE1' HG21 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.834 HG21 ' CD1' ' A' ' 87' ' ' ILE . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.831 HG22 ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.726 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.825 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.841 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.726 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.616 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.825 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.814 ' HB2' HG23 ' A' ' 28' ' ' VAL . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.841 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.664 ' HA ' HG21 ' A' ' 123' ' ' THR . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.584 HD23 ' OE1' ' A' ' 108' ' ' GLN . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 105' ' ' LEU . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 94' ' ' LEU . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 103' ' ' GLU . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.029 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.584 ' OE1' HD23 ' A' ' 93' ' ' LEU . 61.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 105' ' ' LEU . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.46 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 1.029 HD11 HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 87' ' ' ILE . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 84' ' ' LEU . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.71 0.291 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.87 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.87 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.694 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.9 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.863 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.54 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.775 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.682 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' C ' HG21 ' A' ' 28' ' ' VAL . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.694 ' CB ' HG22 ' A' ' 36' ' ' ILE . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' HD11 ' A' ' 119' ' ' LEU . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.761 ' N ' HD12 ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.488 HH21 HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.488 HD12 HH21 ' A' ' 92' ' ' ARG . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 101' ' ' THR . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 105' ' ' LEU . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.63 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 83' ' ' ARG . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 124' ' ' THR . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 120' ' ' PHE . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.436 ' HB3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.699 0.285 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.964 HG13 ' CE2' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.826 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 37' ' ' PHE . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.964 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' ND1' ' A' ' 46' ' ' HIS . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' THR . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' A' ' 67' ' ' ARG . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HB2' HG12 ' A' ' 28' ' ' VAL . 8.2 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.789 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HA ' HD21 ' A' ' 119' ' ' LEU . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.736 ' N ' HD12 ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.607 HD12 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 94' ' ' LEU . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 86' ' ' LYS . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.53 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.468 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.531 ' CH2' HG11 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.874 HG22 ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.708 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.649 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.874 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.851 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 11.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.591 0.234 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.708 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.572 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.711 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.4 ' C ' HG21 ' A' ' 28' ' ' VAL . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.505 ' HG ' ' N ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.759 ' HB2' HD11 ' A' ' 119' ' ' LEU . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.77 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.77 ' N ' HD12 ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.782 HG23 ' HB2' ' A' ' 104' ' ' ALA . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 101' ' ' THR . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' HB1' ' A' ' 90' ' ' ALA . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.414 ' H ' HG23 ' A' ' 109' ' ' VAL . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' A' ' 83' ' ' ARG . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.53 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.665 ' HG3' ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 55' ' ' TYR . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.95 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 34' ' ' THR . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' CB ' ' A' ' 67' ' ' ARG . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.664 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.668 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 52' ' ' VAL . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.832 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.676 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.764 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.747 HD23 HD21 ' A' ' 105' ' ' LEU . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.519 HG22 ' HD2' ' A' ' 99' ' ' PRO . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 98' ' ' THR . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 94' ' ' LEU . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 90' ' ' ALA . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.624 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.717 HD12 HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 120' ' ' PHE . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.932 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.456 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.899 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.899 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.906 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.629 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.641 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.906 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.611 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.672 ' CG ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.636 HG22 ' CD1' ' A' ' 120' ' ' PHE . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.535 ' N ' HD12 ' A' ' 87' ' ' ILE . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.59 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.801 HD11 HG11 ' A' ' 100' ' ' VAL . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.554 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.801 HG11 HD11 ' A' ' 94' ' ' LEU . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 104' ' ' ALA . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 101' ' ' THR . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 94' ' ' LEU . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.781 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.831 HG21 HD21 ' A' ' 116' ' ' LEU . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.781 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.831 HD21 HG21 ' A' ' 109' ' ' VAL . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.672 HD11 ' CG ' ' A' ' 83' ' ' ARG . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 87' ' ' ILE . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.792 0.33 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.917 HG13 ' CE2' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' ASP . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.917 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.703 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 18.9 p90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.796 ' HB2' HG23 ' A' ' 28' ' ' VAL . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 84' ' ' LEU . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.818 ' N ' HD12 ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' HE1' ' A' ' 120' ' ' PHE . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.648 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 98' ' ' THR . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 90' ' ' ALA . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 109' ' ' VAL . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 105' ' ' LEU . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.612 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.688 ' HE1' ' HB3' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.549 HG21 HG12 ' A' ' 87' ' ' ILE . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.717 0.294 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' VAL . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.853 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.845 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.825 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG13 ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.448 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.704 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 10.4 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.642 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.853 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.751 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.751 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.704 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HA ' HD21 ' A' ' 119' ' ' LEU . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 87' ' ' ILE . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.743 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 1.044 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 1.044 HD21 ' HB1' ' A' ' 90' ' ' ALA . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.602 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 105' ' ' LEU . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 124' ' ' THR . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 123' ' ' THR . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.588 ' HH2' HD22 ' A' ' 105' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.309 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.79 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 26.3 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 120.483 0.182 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.593 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 10.1 m120 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.913 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' C ' HG21 ' A' ' 28' ' ' VAL . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.79 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.71 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 101' ' ' THR . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 105' ' ' LEU . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.485 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.442 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 0.3 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 84' ' ' LEU . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.782 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.782 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.782 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.715 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 13' ' ' TRP . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.897 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.715 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.65 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 37' ' ' PHE . 28.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' A' ' 72' ' ' CYS . 2.3 mpt_? . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 120.595 0.236 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.628 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' VAL . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' ARG . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.875 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.65 ' CB ' HG22 ' A' ' 36' ' ' ILE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.594 ' HG ' ' N ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HA ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.593 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 109' ' ' VAL . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 87' ' ' ILE . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 99' ' ' PRO . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 98' ' ' THR . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG21 ' HG ' ' A' ' 94' ' ' LEU . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 111' ' ' MET . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.544 ' HG3' HG22 ' A' ' 109' ' ' VAL . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 105' ' ' LEU . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.703 HD23 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 124' ' ' THR . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 123' ' ' THR . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.839 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.861 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.861 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.839 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.6 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.719 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.719 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 62' ' ' LEU . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.67 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' CA ' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HB3' HD13 ' A' ' 119' ' ' LEU . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.741 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 94' ' ' LEU . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' LEU . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.411 ' HG3' HG12 ' A' ' 109' ' ' VAL . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.595 ' HB3' HD22 ' A' ' 102' ' ' LEU . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 87' ' ' ILE . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.879 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' CB ' ' A' ' 40' ' ' PRO . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.67 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 55' ' ' TYR . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' HG12 ' A' ' 31' ' ' VAL . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 58' ' ' ALA . 10.9 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.671 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.401 0.143 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.886 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.676 ' CB ' HG22 ' A' ' 36' ' ' ILE . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HG2' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HE3' HG13 ' A' ' 109' ' ' VAL . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.753 ' N ' HD12 ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' VAL . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 104' ' ' ALA . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' LEU . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.53 HD21 ' HB1' ' A' ' 90' ' ' ALA . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.918 HG13 ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 41' ' ' SER . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.918 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.603 ' HZ ' HD12 ' A' ' 62' ' ' LEU . 5.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.665 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD3' ' CG ' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 13' ' ' TRP . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.871 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.738 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.622 ' CB ' HG22 ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.731 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.773 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.773 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 94' ' ' LEU . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 106' ' ' ALA . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.658 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 111' ' ' MET . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.678 HD23 HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' HH2' HG11 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.901 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.83 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 37' ' ' PHE . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.901 ' CE2' HG13 ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.0 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.434 0.159 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.659 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 48' ' ' LEU . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 62' ' ' LEU . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.758 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' HD11 ' A' ' 119' ' ' LEU . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 98' ' ' THR . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 116' ' ' LEU . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' MET . . . . . 0.628 ' HE2' ' HB3' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.628 ' HB3' ' HE2' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 83' ' ' ARG . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.04 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -66.48 99.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.644 ' HA ' ' HB1' ' A' ' 56' ' ' ALA . . . -106.82 169.71 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 27' ' ' PHE . 60.3 p -69.93 -179.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m -70.09 -172.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -86.36 -9.43 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.803 -179.506 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.34 171.87 19.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 12' ' ' ARG . 13.8 p-10 -70.16 -35.42 74.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -41.64 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.79 HG22 ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 5.0 p90 -122.31 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.593 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 -48.28 172.39 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.263 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.809 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.821 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.88 ' HB2' HG23 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.644 ' HB1' ' HA ' ' A' ' 4' ' ' ALA . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -116.49 32.51 6.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 55.34 84.4 0.21 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.307 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' NE ' ' A' ' 39' ' ' ARG . 73.4 Cg_endo -78.88 -46.23 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.554 2.169 . . . . 0.0 112.271 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 179.95 122.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.722 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 61.7 97.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.99 -75.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.09 127.87 33.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.11 -37.77 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.54 -62.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.07 86.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -177.08 124.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 119' ' ' LEU . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.806 ' N ' HD12 ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.667 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 103' ' ' GLU . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.713 ' HG3' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 106' ' ' ALA . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.581 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 105' ' ' LEU . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.427 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.63 93.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 5.7 m0 -63.41 -45.57 90.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.781 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -39.63 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.64 -33.11 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -35.07 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -71.55 -31.15 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 24.6 tp -81.74 -44.0 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -69.11 -30.76 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.66 -19.77 62.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.55 31.36 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 58.46 31.33 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 140' ' ' LEU . . . -87.27 145.31 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.834 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.33 -77.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -80.58 145.65 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.72 161.33 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -100.9 53.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.683 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER 73.05 5.63 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 76.49 -18.27 0.49 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.53 167.55 29.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.96 -42.68 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.303 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.81 -43.98 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.624 ' CB ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.876 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.667 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.815 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 -116.46 123.49 47.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.546 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 -47.64 171.07 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.777 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 48' ' ' LEU . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.815 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' VAL . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.654 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p -135.67 39.15 2.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 58.86 85.17 0.19 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.51 -172.61 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.62 2.213 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -97.37 173.61 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -143.23 129.85 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.25 -48.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 36.1 m120 60.31 91.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.54 -63.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -125.41 80.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 153.91 42.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -113.82 151.63 31.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.691 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.75 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.75 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 105' ' ' LEU . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 105' ' ' LEU . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 101' ' ' THR . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 HD12 ' A' ' 94' ' ' LEU . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 111' ' ' MET . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.535 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 87' ' ' ILE . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 124' ' ' THR . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 123' ' ' THR . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.29 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -64.83 -44.82 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -66.45 -41.02 89.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.73 71.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -33.86 76.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.91 -31.73 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 144' ' ' LEU . 8.3 mp -81.38 -34.37 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -73.22 -37.79 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.76 -31.27 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 t -110.24 104.57 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -139.62 125.7 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.819 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.86 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -136.97 124.58 22.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 92.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.08 148.08 26.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 HD23 ' A' ' 7' ' ' LEU . 2.9 m -72.57 137.34 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' THR . 0.8 OUTLIER -114.91 -49.93 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 63.81 32.02 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 6' ' ' CYS . 3.9 p -136.89 177.79 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.746 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.5 -25.88 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.618 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.64 -42.53 67.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.492 ' HG ' ' HZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.932 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.682 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG23 ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 -117.42 123.13 45.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.493 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.609 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 -47.58 170.74 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.904 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.725 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.764 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.7 -38.89 2.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.8 96.93 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.744 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.49 45.31 1.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.725 2.283 . . . . 0.0 113.098 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 57.8 112.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 111.252 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.77 102.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.4 173.71 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -130.27 30.98 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.73 117.67 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.32 30.3 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.28 122.0 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 56.6 m80 -135.33 34.34 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.811 ' HA ' HD21 ' A' ' 119' ' ' LEU . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.592 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.834 ' CD1' HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.54 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 98' ' ' THR . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 90' ' ' ALA . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 106' ' ' ALA . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' CE1' HG21 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.834 HG21 ' CD1' ' A' ' 87' ' ' ILE . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.5 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -63.46 -47.17 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.6 ttp-105 -61.31 -43.25 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.43 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.66 -32.62 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -33.54 72.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.78 -40.23 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -74.19 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.62 38.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.18 146.47 26.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 tt 60.72 84.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.16 152.83 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.82 -50.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -83.84 123.59 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.873 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -85.35 153.56 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -100.45 -41.72 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -174.67 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' HB1' ' A' ' 4' ' ' ALA . 0.2 OUTLIER 70.8 4.71 5.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.41 167.75 28.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.625 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -32.21 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.56 -44.27 64.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.217 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 8' ' ' THR . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.831 HG22 ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.726 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.825 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.841 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 -115.11 119.94 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.58 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 -45.88 169.71 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.726 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.616 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.825 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.814 ' HB2' HG23 ' A' ' 28' ' ' VAL . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.841 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -136.58 37.98 2.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 57.73 81.76 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.452 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.27 -79.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.415 2.076 . . . . 0.0 112.471 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -121.77 -40.78 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 173.38 15.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.35 166.82 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -117.22 136.44 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.78 -41.85 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -166.8 105.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 111.68 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -177.03 155.88 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.664 ' HA ' HG21 ' A' ' 123' ' ' THR . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.584 HD23 ' OE1' ' A' ' 108' ' ' GLN . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 105' ' ' LEU . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 94' ' ' LEU . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 103' ' ' GLU . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.029 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.584 ' OE1' HD23 ' A' ' 93' ' ' LEU . 61.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 105' ' ' LEU . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.46 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 1.029 HD11 HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 87' ' ' ILE . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 84' ' ' LEU . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLN . . . . . 0.411 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.69 -48.1 82.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 4.6 m0 -70.05 -47.73 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.1 -40.76 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.47 -50.82 49.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -60.62 -29.57 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -72.7 -28.7 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 -30.73 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.081 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -50.21 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.89 -35.95 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 t 59.77 109.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.63 107.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -109.52 150.92 27.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -100.56 31.08 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -105.98 116.33 31.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.87 133.52 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -75.36 -74.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.61 -62.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.14 8.06 5.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.762 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.72 166.87 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.79 -35.58 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.55 -44.09 65.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.213 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.762 ' HB2' HG23 ' A' ' 8' ' ' THR . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.87 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.87 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 38' ' ' SMC . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.694 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.9 p90 -143.29 124.53 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.794 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 -48.94 172.57 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.304 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.863 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.54 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.775 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.682 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' C ' HG21 ' A' ' 28' ' ' VAL . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.694 ' CB ' HG22 ' A' ' 36' ' ' ILE . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p -125.19 28.12 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 61.58 90.07 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.194 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.01 -168.02 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.686 2.258 . . . . 0.0 112.28 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -95.56 164.53 12.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.5 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -51.27 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.7 129.8 36.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.01 -68.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.25 103.28 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -169.31 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.07 -37.08 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' HD11 ' A' ' 119' ' ' LEU . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.761 ' N ' HD12 ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.488 HH21 HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.488 HD12 HH21 ' A' ' 92' ' ' ARG . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 101' ' ' THR . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 105' ' ' LEU . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.63 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 83' ' ' ARG . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 124' ' ' THR . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 120' ' ' PHE . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.436 ' HB3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.89 98.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -73.89 -35.93 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -47.32 80.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.98 73.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -31.29 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.88 -32.27 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -85.27 -31.86 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -70.8 -31.85 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -32.34 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.7 t -80.31 -66.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.67 119.37 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.22 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.769 0.319 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 99.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -89.06 130.73 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 12' ' ' ARG . 1.5 p -133.35 24.45 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.9 m 55.44 173.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.443 HD12 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.28 -25.28 22.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.032 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -158.29 159.69 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -179.581 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -29.5 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.61 -39.47 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.419 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' THR . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.964 HG13 ' CE2' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.826 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.888 HG13 ' O ' ' A' ' 38' ' ' SMC . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.964 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' ND1' ' A' ' 46' ' ' HIS . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' THR . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' A' ' 67' ' ' ARG . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HB2' HG12 ' A' ' 28' ' ' VAL . 8.2 p90 -150.31 135.74 18.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.888 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 -49.1 171.37 0.11 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.006 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.789 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.8 p -129.63 31.71 4.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 56.47 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' ARG . 63.2 Cg_endo -73.48 -44.24 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.493 2.129 . . . . 0.0 112.391 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 -45.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -139.97 -49.67 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.36 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -121.43 119.32 31.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.1 87.51 2.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 61.39 110.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.23 137.1 24.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.07 131.83 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HA ' HD21 ' A' ' 119' ' ' LEU . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.736 ' N ' HD12 ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.607 HD12 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 94' ' ' LEU . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 86' ' ' LYS . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.53 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.468 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.53 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -48.08 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.01 -30.53 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.22 -34.0 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.53 -30.84 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -75.37 -27.37 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -42.44 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.84 68.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -110.44 31.13 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.74 -42.87 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.6 158.82 43.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -108.54 105.6 15.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.679 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -145.12 103.82 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -87.48 122.41 31.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -70.83 99.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -154.13 147.86 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m -65.88 -173.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -82.96 -11.18 58.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.475 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.2 171.76 19.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.77 -34.28 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.57 -43.5 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 8' ' ' THR . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.531 ' CH2' HG11 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.874 HG22 ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.708 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.756 ' O ' ' HB1' ' A' ' 4' ' ' ALA . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.649 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 38' ' ' SMC . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.874 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.851 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 11.9 p90 -147.49 134.16 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.868 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? -44.67 170.54 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.796 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.708 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.572 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.711 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.4 ' C ' HG21 ' A' ' 28' ' ' VAL . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -126.83 32.84 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 59.81 112.1 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.477 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 97.1 Cg_endo -78.96 174.54 12.05 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.583 2.189 . . . . 0.0 112.418 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 103.57 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 59.77 103.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.69 33.89 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.16 110.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.23 106.96 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 60.2 96.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -146.1 -177.12 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.41 106.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.759 ' HB2' HD11 ' A' ' 119' ' ' LEU . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.558 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.77 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.77 ' N ' HD12 ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.8 mp0 -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.782 HG23 ' HB2' ' A' ' 104' ' ' ALA . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 101' ' ' THR . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' HB1' ' A' ' 90' ' ' ALA . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.414 ' H ' HG23 ' A' ' 109' ' ' VAL . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' A' ' 83' ' ' ARG . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 36.4 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.17 98.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -65.53 -41.92 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -31.65 61.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.1 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -72.33 -31.5 65.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.79 -31.35 59.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 tt -82.26 -32.33 29.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -34.24 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.1 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 m 59.6 167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -67.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.42 154.6 21.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.7 95.66 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -97.94 165.72 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.67 169.74 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p 56.22 173.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.5 m -76.71 -166.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.531 HD12 ' H ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.53 -20.16 32.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.603 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -158.25 167.36 29.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.377 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -34.25 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -43.65 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.506 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' H ' HG23 ' A' ' 8' ' ' THR . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.53 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.665 ' HG3' ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 55' ' ' TYR . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.95 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 34' ' ' THR . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' CB ' ' A' ' 67' ' ' ARG . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 -150.25 122.45 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.516 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.664 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 -48.57 172.38 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.377 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.668 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 52' ' ' VAL . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.832 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.676 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -40.74 2.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -176.61 86.75 0.27 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.3 126.08 19.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.4 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.72 -38.23 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -82.81 95.01 7.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.28 -45.93 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -84.47 96.51 9.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.06 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.53 103.69 6.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -140.82 29.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -110.17 -31.96 7.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.519 ' C ' HD23 ' A' ' 84' ' ' LEU . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.764 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.747 HD23 HD21 ' A' ' 105' ' ' LEU . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.519 HG22 ' HD2' ' A' ' 99' ' ' PRO . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 98' ' ' THR . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 94' ' ' LEU . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 90' ' ' ALA . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.624 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.717 HD12 HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 120' ' ' PHE . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.76 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -63.43 -43.28 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -68.77 -38.79 80.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.46 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -67.1 -31.13 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -34.18 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -45.86 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -42.58 66.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.38 41.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.6 p -79.55 133.29 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.5 tp 61.03 79.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.78 160.33 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.84 0.352 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -107.94 -66.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -100.29 144.14 29.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' THR . . . -110.86 154.01 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.189 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' ALA . 3.3 p -159.78 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.502 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 52.9 m -133.63 -80.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.784 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -170.46 -35.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.401 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -137.45 152.74 49.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.691 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.53 -28.57 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -43.61 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' THR . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.932 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.456 ' O ' ' ND2' ' A' ' 22' ' ' ASN . 0.6 OUTLIER -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.899 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.899 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.48 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 38' ' ' SMC . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.906 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 -125.48 133.58 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.768 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 -53.96 175.43 0.15 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.615 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.629 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.641 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.906 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.611 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -119.08 33.39 5.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 61.47 89.37 0.11 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.343 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.68 -167.28 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.578 2.186 . . . . 0.0 112.136 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 85.04 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.989 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.84 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.08 167.71 29.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -95.53 90.84 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.91 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -152.39 93.37 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -166.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -119.65 -63.83 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.672 ' CG ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.636 HG22 ' CD1' ' A' ' 120' ' ' PHE . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.535 ' N ' HD12 ' A' ' 87' ' ' ILE . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.59 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.801 HD11 HG11 ' A' ' 100' ' ' VAL . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' HB3' ' CE3' ' A' ' 135' ' ' TRP . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.554 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.801 HG11 HD11 ' A' ' 94' ' ' LEU . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 104' ' ' ALA . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 101' ' ' THR . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 94' ' ' LEU . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.781 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.831 HG21 HD21 ' A' ' 116' ' ' LEU . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.781 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.831 HD21 HG21 ' A' ' 109' ' ' VAL . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.672 HD11 ' CG ' ' A' ' 83' ' ' ARG . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 87' ' ' ILE . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.22 -40.4 59.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.435 ' CE3' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -63.88 -44.23 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -68.89 -41.18 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.79 -33.54 72.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -71.02 -33.07 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -30.8 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 tp -86.37 -33.95 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -77.43 -31.39 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.78 40.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.05 -179.8 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.89 99.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.84 132.04 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.887 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -145.87 109.69 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.61 132.42 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' A' ' 56' ' ' ALA . . . -107.99 157.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' CG2' ' HD3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 61.51 161.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.768 ' O ' HD23 ' A' ' 7' ' ' LEU . 10.1 m -79.62 -70.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER 175.71 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.487 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.98 HG22 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -137.87 172.53 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 -179.077 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.93 -36.49 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.302 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.42 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 8' ' ' THR . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.917 HG13 ' CE2' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' ASP . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.917 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.703 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 18.9 p90 -115.83 122.69 46.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.573 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 -47.89 169.4 0.13 Allowed Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.407 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HG2' ' O ' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.796 ' HB2' HG23 ' A' ' 28' ' ' VAL . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' A' ' 4' ' ' ALA . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 p -95.43 17.98 13.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 62.07 143.86 0.06 OUTLIER Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.04 -37.77 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.525 2.15 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -161.71 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.57 -71.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.11 -178.41 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.61 -54.67 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.59 -176.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 100.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -129.15 -170.3 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 51.0 m80 60.02 29.34 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 84' ' ' LEU . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.818 ' N ' HD12 ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' HE1' ' A' ' 120' ' ' PHE . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.648 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 98' ' ' THR . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 90' ' ' ALA . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 109' ' ' VAL . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 105' ' ' LEU . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.612 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.688 ' HE1' ' HB3' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.549 HG21 HG12 ' A' ' 87' ' ' ILE . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.82 -43.04 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -71.78 -38.36 70.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.457 ' O ' HD23 ' A' ' 140' ' ' LEU . 12.9 mtm180 -69.76 -40.32 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.43 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -74.91 -32.65 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.7 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 136' ' ' ARG . 3.4 mm? -79.41 -43.89 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -71.45 -37.56 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.89 37.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.2 m -77.52 118.72 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.45 143.7 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.888 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.86 136.15 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -93.89 122.42 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.96 30.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.585 HG22 ' NE ' ' A' ' 12' ' ' ARG . 10.0 t -76.32 -47.51 23.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 68.1 m -101.65 -81.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.147 0.499 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD13 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -171.07 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.128 -179.632 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -138.66 161.09 38.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.521 -179.175 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -71.78 -28.75 63.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.66 -40.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.403 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' HB2' HG23 ' A' ' 8' ' ' THR . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.585 ' NE ' HG22 ' A' ' 5' ' ' THR . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.853 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.845 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.825 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HD2' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 38' ' ' SMC . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG13 ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.448 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.704 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 10.4 p90 -146.56 133.45 20.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.858 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.642 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 -46.5 170.23 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.506 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.853 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.751 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.751 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.704 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p -92.2 15.96 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 61.41 146.89 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 111.187 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.77 -43.39 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.628 2.219 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -160.19 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.89 -178.1 0.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.2 -56.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -76.29 128.41 34.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.13 -46.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.32 89.39 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.44 95.8 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -112.18 -30.3 7.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HA ' HD21 ' A' ' 119' ' ' LEU . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 87' ' ' ILE . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.743 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 1.044 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 1.044 HD21 ' HB1' ' A' ' 90' ' ' ALA . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.602 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 105' ' ' LEU . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 124' ' ' THR . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 123' ' ' THR . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.588 ' HH2' HD22 ' A' ' 105' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.2 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -66.41 -42.88 87.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -38.09 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.97 -33.14 67.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -75.04 -31.95 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -31.71 68.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -35.29 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.22 84.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.81 -34.47 71.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.5 86.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.7 tp -98.79 -33.56 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -116.29 -56.84 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.57 131.74 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.36 144.79 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -151.85 -66.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.783 ' O ' HD23 ' A' ' 7' ' ' LEU . 52.7 m -112.24 -73.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.092 0.473 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER 175.5 -31.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 -179.221 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 1.04 HG22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -143.38 165.62 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.654 -178.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -29.91 64.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.53 -43.79 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HB2' HG23 ' A' ' 8' ' ' THR . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 38' ' ' SMC . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.79 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 26.3 p90 -144.58 125.55 14.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.81 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 -46.36 169.45 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.551 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.593 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 10.1 m120 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.913 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' C ' HG21 ' A' ' 28' ' ' VAL . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.79 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.6 p -131.11 28.27 4.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.45 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.281 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 39' ' ' ARG . 73.9 Cg_endo -75.43 -168.5 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.331 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -80.13 -31.65 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -152.92 100.75 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.89 -76.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -101.9 126.51 48.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.46 -44.09 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.7 91.71 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -145.56 124.9 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -113.41 -36.39 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.71 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 101' ' ' THR . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 105' ' ' LEU . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.485 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 0.3 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 84' ' ' LEU . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.782 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.782 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.48 80.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' TRP . . . . . 0.416 ' CE3' ' HA ' ' A' ' 136' ' ' ARG . 28.2 p-90 -74.38 -36.38 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 10.3 ttp180 -64.91 -52.93 53.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.72 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.239 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.72 60.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -29.93 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.3 mt -83.74 -32.58 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -35.48 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -31.21 58.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.55 143.91 38.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.47 96.06 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.31 139.28 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.886 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -151.31 138.93 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -82.51 155.87 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' O ' HG23 ' A' ' 5' ' ' THR . . . -74.59 100.22 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -167.91 133.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -127.65 -42.43 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 63.22 29.68 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 0.0 110.576 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.3 p -136.36 176.39 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.14 -23.61 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.584 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.02 -44.4 65.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.782 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.715 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 13' ' ' TRP . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.897 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 38' ' ' SMC . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.715 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.65 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' CD1' ' O ' ' A' ' 37' ' ' PHE . 28.7 p90 -147.99 126.1 12.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.81 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 2.3 mpt_? -43.4 168.44 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.875 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.628 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' VAL . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' ARG . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.875 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.65 ' CB ' HG22 ' A' ' 36' ' ' ILE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -133.88 33.75 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 64.71 103.45 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.504 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.27 170.65 15.51 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.598 2.198 . . . . 0.0 112.457 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -109.56 -35.55 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.84 87.0 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.23 145.87 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.96 87.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.63 128.42 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.07 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 96.59 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -97.91 35.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HA ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.593 ' O ' HD13 ' A' ' 84' ' ' LEU . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 109' ' ' VAL . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 87' ' ' ILE . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 99' ' ' PRO . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 98' ' ' THR . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG21 ' HG ' ' A' ' 94' ' ' LEU . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 111' ' ' MET . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.544 ' HG3' HG22 ' A' ' 109' ' ' VAL . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 105' ' ' LEU . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.703 HD23 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 124' ' ' THR . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 123' ' ' THR . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -63.74 -35.99 82.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -73.4 -33.11 64.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -31.66 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -36.3 24.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -39.9 87.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -97.87 -55.05 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.59 -70.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.13 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -96.48 118.16 32.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.35 91.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 92.71 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.31 117.94 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -77.97 -63.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.351 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.602 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 178.63 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.73 0.3 . . . . 0.0 111.099 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER 73.37 1.5 4.0 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.849 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.51 168.99 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.796 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.08 -36.73 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.726 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -44.16 65.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.839 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.861 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.839 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.6 p90 -122.38 123.47 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 -46.78 169.75 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.474 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.719 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.719 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.543 ' C ' HD23 ' A' ' 62' ' ' LEU . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.67 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' CA ' ' A' ' 42' ' ' CYS . 1.6 p -129.56 26.63 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.64 109.59 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.243 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.94 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.42 2.08 . . . . 0.0 112.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.05 -33.73 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -106.7 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.01 90.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.62 102.78 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.03 -42.42 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -124.2 115.69 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.7 135.37 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -100.98 31.42 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HB3' HD13 ' A' ' 119' ' ' LEU . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.741 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 94' ' ' LEU . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' LEU . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.411 ' HG3' HG12 ' A' ' 109' ' ' VAL . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.595 ' HB3' HD22 ' A' ' 102' ' ' LEU . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 87' ' ' ILE . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.55 66.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -48.06 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -30.84 69.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -37.54 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -75.79 -33.57 60.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.44 -31.9 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -76.27 -29.88 57.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 45.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -98.31 34.22 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.86 90.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.21 153.1 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -168.96 175.23 5.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 129.66 41.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -110.43 106.02 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -157.25 147.41 20.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -60.0 -178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.475 HD12 ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -61.47 -23.17 65.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 179.428 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -158.34 167.7 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.605 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.8 m-20 -71.94 -33.03 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -40.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.396 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.608 ' H ' HG23 ' A' ' 8' ' ' THR . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.46 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' CB ' ' A' ' 40' ' ' PRO . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.67 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 55' ' ' TYR . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' HG12 ' A' ' 31' ' ' VAL . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 58' ' ' ALA . 10.9 p90 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.671 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 -46.28 171.8 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.66 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.886 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.803 ' HB2' ' HB1' ' A' ' 4' ' ' ALA . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.676 ' CB ' HG22 ' A' ' 36' ' ' ILE . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p -137.84 38.27 2.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.46 ' NE2' ' O ' ' A' ' 21' ' ' PRO . 4.2 mt-30 57.46 95.78 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.254 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -174.48 2.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.518 2.145 . . . . 0.0 112.393 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -98.5 30.61 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 -56.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.86 173.03 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.51 139.76 49.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 119.96 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 86.93 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -163.57 158.07 20.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.21 28.58 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HG2' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HE3' HG13 ' A' ' 109' ' ' VAL . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.753 ' N ' HD12 ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' VAL . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 104' ' ' ALA . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' LEU . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.53 HD21 ' HB1' ' A' ' 90' ' ' ALA . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.22 99.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -40.37 67.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.88 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.06 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -33.1 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -73.19 -29.98 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -31.28 45.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -71.58 -50.31 32.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -30.86 68.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -52.2 23.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.03 87.52 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -97.45 137.46 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -139.71 141.99 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.57 107.69 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -76.7 140.35 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 4' ' ' ALA . 12.6 t 45.71 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.427 ' C ' HD13 ' A' ' 7' ' ' LEU . 10.2 m -73.68 -177.89 2.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -89.89 -10.41 45.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.152 179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.675 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.21 156.98 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.7 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.434 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -43.88 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.675 ' HB2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.918 HG13 ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' O ' ' NE2' ' A' ' 73' ' ' GLN . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 41' ' ' SER . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.918 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.603 ' HZ ' HD12 ' A' ' 62' ' ' LEU . 5.6 p90 -121.89 120.02 33.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.539 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.665 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 -48.14 171.22 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD3' ' CG ' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 13' ' ' TRP . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.871 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.738 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.765 ' HB2' ' HB1' ' A' ' 4' ' ' ALA . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.622 ' CB ' HG22 ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.5 40.25 2.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER 55.27 94.58 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 179.757 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.16 -44.2 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.583 2.189 . . . . 0.0 112.335 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.2 -66.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -148.32 -61.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.65 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -170.29 147.11 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.29 115.39 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.04 31.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -139.61 -55.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.731 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.773 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.773 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 94' ' ' LEU . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 106' ' ' ALA . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.658 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 111' ' ' MET . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.678 HD23 HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.32 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -65.14 -43.26 92.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' O ' HD23 ' A' ' 140' ' ' LEU . 12.5 ttm105 -69.15 -35.98 76.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.79 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -31.59 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.27 66.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 136' ' ' ARG . 4.2 mm? -87.45 -29.24 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -60.21 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.089 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -117.63 -28.6 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.8 t 70.27 -65.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.87 128.77 50.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -98.41 117.47 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 20.0 mttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.88 0.372 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? 60.89 37.32 18.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 127.3 33.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.91 138.08 37.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -130.76 151.83 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -158.32 -43.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER 64.63 31.43 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.0 110.439 -179.519 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' CYS . 3.4 p -138.25 177.93 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.966 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -26.61 9.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.513 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 -44.2 65.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' HH2' HG11 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.901 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.83 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 38' ' ' SMC . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.901 ' CE2' HG13 ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.0 p90 -148.11 133.97 19.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SMC . . . . . 0.843 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 -45.65 168.13 0.11 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.636 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.659 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 48' ' ' LEU . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 62' ' ' LEU . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.758 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p -94.09 21.78 6.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 54.78 98.16 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.679 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.07 82.91 2.18 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.637 2.225 . . . . 0.0 112.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.17 173.89 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -120.77 -166.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.32 155.33 28.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -136.85 164.2 28.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -176.53 -39.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.23 43.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -142.58 150.58 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.04 130.95 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' HD11 ' A' ' 119' ' ' LEU . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD13 ' O ' ' A' ' 93' ' ' LEU . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 98' ' ' THR . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 116' ' ' LEU . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.628 ' HE2' ' HB3' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.628 ' HB3' ' HE2' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 83' ' ' ARG . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.72 -39.41 64.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -35.39 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -31.59 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.28 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -75.75 -32.97 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -33.72 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -39.62 63.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -62.58 -33.78 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.26 -30.36 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m 62.28 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 mp 60.3 32.99 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -80.32 99.35 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.839 0.352 . . . . 0.0 110.826 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.79 HG22 ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.614 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 5.0 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 . . . . . 0 CA--C 1.534 0.345 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.809 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.821 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.88 ' HB2' HG23 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER . . . . . 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.878 0.371 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 119' ' ' LEU . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.806 ' N ' HD12 ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.667 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 103' ' ' GLU . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.713 ' HG3' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.471 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 106' ' ' ALA . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.581 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 105' ' ' LEU . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.753 0.311 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.876 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.667 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.815 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 . . . . . 0 CA--C 1.534 0.343 0 N-CA-C 110.601 -0.148 . . . . 0.0 110.601 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.777 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.418 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 48' ' ' LEU . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.446 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.815 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' VAL . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.654 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.841 0.353 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.691 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.75 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.75 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 105' ' ' LEU . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 105' ' ' LEU . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 101' ' ' THR . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 HD12 ' A' ' 94' ' ' LEU . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 111' ' ' MET . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.535 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 87' ' ' ILE . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 124' ' ' THR . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 123' ' ' THR . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.492 ' HG ' ' HZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.932 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.682 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.725 HG23 ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 . . . . . 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.609 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 . . . . . 0 CA--C 1.531 0.235 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.904 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.725 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.764 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.811 ' HA ' HD21 ' A' ' 119' ' ' LEU . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.834 ' CD1' HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.54 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 98' ' ' THR . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 90' ' ' ALA . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 106' ' ' ALA . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.442 ' CE1' HG21 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.834 HG21 ' CD1' ' A' ' 87' ' ' ILE . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 . . . . . 0 C--O 1.233 0.213 0 CA-C-O 120.73 0.3 . . . . 0.0 111.217 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.831 HG22 ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.726 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.825 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.841 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 . . . . . 0 CA--C 1.533 0.309 0 CA-C-O 120.51 0.195 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.726 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.616 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.55 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.825 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.814 ' HB2' HG23 ' A' ' 28' ' ' VAL . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.841 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.792 0.329 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.664 ' HA ' HG21 ' A' ' 123' ' ' THR . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.734 HD23 ' NE2' ' A' ' 108' ' ' GLN . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 105' ' ' LEU . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 94' ' ' LEU . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 103' ' ' GLU . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.029 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.734 ' NE2' HD23 ' A' ' 93' ' ' LEU . 29.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 105' ' ' LEU . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.46 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 1.029 HD11 HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 87' ' ' ILE . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 84' ' ' LEU . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.71 0.291 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.87 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.87 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.445 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.694 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.9 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 . . . . . 0 CA--C 1.536 0.425 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.863 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.54 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.775 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.682 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.405 ' C ' HG21 ' A' ' 28' ' ' VAL . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.694 ' CB ' HG22 ' A' ' 36' ' ' ILE . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.797 0.332 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' HD11 ' A' ' 119' ' ' LEU . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.761 ' N ' HD12 ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.488 HH21 HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.488 HD12 HH21 ' A' ' 92' ' ' ARG . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 101' ' ' THR . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 105' ' ' LEU . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.63 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 83' ' ' ARG . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 124' ' ' THR . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 120' ' ' PHE . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.436 ' HB3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.699 0.285 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.964 HG13 ' CE2' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.826 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.527 HG12 ' HB2' ' A' ' 37' ' ' PHE . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.964 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' ND1' ' A' ' 46' ' ' HIS . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' THR . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' A' ' 67' ' ' ARG . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HB2' HG12 ' A' ' 28' ' ' VAL . 8.2 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 . . . . . 0 CA--C 1.532 0.278 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.789 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.8 p . . . . . 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.824 0.345 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HA ' HD21 ' A' ' 119' ' ' LEU . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.736 ' N ' HD12 ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.607 HD12 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 94' ' ' LEU . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 86' ' ' LYS . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.53 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.468 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.807 0.337 . . . . 0.0 111.072 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.531 ' CH2' HG11 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.874 HG22 ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.708 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.649 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.874 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.851 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 11.9 p90 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? . . . . . 0 N--CA 1.464 0.248 0 CA-C-O 120.591 0.234 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.708 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.572 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.711 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.4 ' C ' HG21 ' A' ' 28' ' ' VAL . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.505 ' HG ' ' N ' ' A' ' 39' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.772 0.32 . . . . 0.0 110.861 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.759 ' HB2' HD11 ' A' ' 119' ' ' LEU . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.77 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.77 ' N ' HD12 ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.782 HG23 ' HB2' ' A' ' 104' ' ' ALA . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 101' ' ' THR . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' HB1' ' A' ' 90' ' ' ALA . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.414 ' H ' HG23 ' A' ' 109' ' ' VAL . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' A' ' 83' ' ' ARG . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.734 0.302 . . . . 0.0 111.506 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.53 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.95 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.665 ' HG3' ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 55' ' ' TYR . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.95 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 34' ' ' THR . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' CB ' ' A' ' 67' ' ' ARG . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.664 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 110.377 -0.231 . . . . 0.0 110.377 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.668 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 52' ' ' VAL . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.832 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.676 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.678 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.474 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 84' ' ' LEU . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.764 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.747 HD23 HD21 ' A' ' 105' ' ' LEU . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.519 HG22 ' HD2' ' A' ' 99' ' ' PRO . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 98' ' ' THR . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 94' ' ' LEU . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 90' ' ' ALA . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.624 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.717 HD12 HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 120' ' ' PHE . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.774 0.321 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.932 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.899 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.899 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.477 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' A' ' 37' ' ' PHE . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.906 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 . . . . . 0 CA--C 1.533 0.302 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.629 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.641 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.906 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.611 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.672 ' CG ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.636 HG22 ' CD1' ' A' ' 120' ' ' PHE . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.535 ' N ' HD12 ' A' ' 87' ' ' ILE . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.59 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.801 HD11 HG11 ' A' ' 100' ' ' VAL . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.554 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.801 HG11 HD11 ' A' ' 94' ' ' LEU . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 104' ' ' ALA . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 101' ' ' THR . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 94' ' ' LEU . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.781 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.831 HG21 HD21 ' A' ' 116' ' ' LEU . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.781 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.831 HD21 HG21 ' A' ' 109' ' ' VAL . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.672 HD11 ' CG ' ' A' ' 83' ' ' ARG . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 87' ' ' ILE . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.792 0.33 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.917 HG13 ' CE2' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' ASP . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.917 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.703 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 18.9 p90 . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 . . . . . 0 C--O 1.232 0.167 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB2' ' SG ' ' A' ' 72' ' ' CYS . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.796 ' HB2' HG23 ' A' ' 28' ' ' VAL . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.4 ' SG ' ' HB2' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.821 0.343 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 84' ' ' LEU . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.818 ' N ' HD12 ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' HE1' ' A' ' 120' ' ' PHE . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.648 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 98' ' ' THR . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 90' ' ' ALA . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 109' ' ' VAL . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 105' ' ' LEU . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.612 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.688 ' HE1' ' HB3' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.549 HG21 HG12 ' A' ' 87' ' ' ILE . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.717 0.294 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.513 ' O ' HG23 ' A' ' 16' ' ' VAL . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.853 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.845 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.825 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.511 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.469 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG13 ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.448 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.704 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 10.4 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.642 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 . . . . . 0 CA--C 1.533 0.312 0 N-CA-C 110.506 -0.183 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.853 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.751 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.751 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.704 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.788 0.328 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HA ' HD21 ' A' ' 119' ' ' LEU . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 87' ' ' ILE . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.743 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 1.044 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 1.044 HD21 ' HB1' ' A' ' 90' ' ' ALA . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.602 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 105' ' ' LEU . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 124' ' ' THR . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 123' ' ' THR . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.588 ' HH2' HD22 ' A' ' 105' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.748 0.309 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.474 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.455 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.79 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 26.3 p90 . . . . . 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 . . . . . 0 CA--C 1.532 0.287 0 CA-C-O 120.483 0.182 . . . . 0.0 110.551 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.593 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 26.4 m-80 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.913 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . 0.43 ' C ' HG21 ' A' ' 28' ' ' VAL . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.79 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.803 0.335 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.71 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 101' ' ' THR . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.488 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 93' ' ' LEU . 8.5 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 105' ' ' LEU . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.485 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.442 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 0.1 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 84' ' ' LEU . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.782 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.782 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.782 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.715 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 13' ' ' TRP . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.897 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 ' HB ' ' HB2' ' A' ' 55' ' ' TYR . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.715 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.65 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 28.7 p90 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' A' ' 72' ' ' CYS . 2.3 mpt_? . . . . . 0 CA--C 1.533 0.317 0 CA-C-O 120.595 0.236 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.628 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' VAL . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' ARG . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.875 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.65 ' CB ' HG22 ' A' ' 36' ' ' ILE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.594 ' HG ' ' N ' ' A' ' 39' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.775 0.322 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HA ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 109' ' ' VAL . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 87' ' ' ILE . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 99' ' ' PRO . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 98' ' ' THR . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.457 HG21 ' HG ' ' A' ' 94' ' ' LEU . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 111' ' ' MET . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.544 ' HG3' HG22 ' A' ' 109' ' ' VAL . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 105' ' ' LEU . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.703 HD23 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 124' ' ' THR . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 123' ' ' THR . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.151 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.839 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.861 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.861 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.839 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.6 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 110.474 -0.195 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.719 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.719 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 62' ' ' LEU . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.67 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' CA ' ' A' ' 42' ' ' CYS . 1.6 p . . . . . 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.781 0.324 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HB3' HD13 ' A' ' 119' ' ' LEU . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.741 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 94' ' ' LEU . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' LEU . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.411 ' HG3' HG12 ' A' ' 109' ' ' VAL . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.595 ' HB3' HD22 ' A' ' 102' ' ' LEU . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 87' ' ' ILE . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.663 0.268 . . . . 0.0 111.396 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.879 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' CB ' ' A' ' 40' ' ' PRO . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.67 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 55' ' ' TYR . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' HG12 ' A' ' 31' ' ' VAL . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 58' ' ' ALA . 10.9 p90 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.671 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 . . . . . 0 CA--C 1.535 0.385 0 CA-C-O 120.401 0.143 . . . . 0.0 110.66 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.886 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.562 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.676 ' CB ' HG22 ' A' ' 36' ' ' ILE . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p . . . . . 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.811 0.339 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HG2' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HE3' HG13 ' A' ' 109' ' ' VAL . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.753 ' N ' HD12 ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.506 HD21 ' NE2' ' A' ' 108' ' ' GLN . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' VAL . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 104' ' ' ALA . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.506 ' NE2' HD21 ' A' ' 93' ' ' LEU . 1.6 tt0 -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' LEU . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.53 HD21 ' HB1' ' A' ' 90' ' ' ALA . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.233 0.235 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.918 HG13 ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 41' ' ' SER . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.918 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.603 ' HZ ' HD12 ' A' ' 62' ' ' LEU . 5.6 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.665 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 110.718 -0.105 . . . . 0.0 110.718 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD3' ' CG ' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 13' ' ' TRP . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.871 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.738 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.603 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.622 ' CB ' HG22 ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p . . . . . 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.848 0.356 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.731 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.773 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.773 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 94' ' ' LEU . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 106' ' ' ALA . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.658 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 111' ' ' MET . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.678 HD23 HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.171 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . 0.443 ' HH2' HG11 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.901 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.83 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HB2' ' A' ' 37' ' ' PHE . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.901 ' CE2' HG13 ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.0 p90 . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 . . . . . 0 CA--C 1.533 0.29 0 CA-C-O 120.434 0.159 . . . . 0.0 110.636 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.659 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 48' ' ' LEU . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 62' ' ' LEU . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.758 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p . . . . . 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' HD11 ' A' ' 119' ' ' LEU . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 98' ' ' THR . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 116' ' ' LEU . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' MET . . . . . 0.628 ' HE2' ' HB3' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.628 ' HB3' ' HE2' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 83' ' ' ARG . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.487 1.387 0 CA-C-O 120.848 0.356 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.04 99.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.001 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -66.48 99.62 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.912 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.644 ' HA ' ' HB1' ' A' ' 56' ' ' ALA . . . -106.82 169.71 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.013 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.713 HG22 ' HB3' ' A' ' 27' ' ' PHE . 60.3 p -69.93 -179.4 1.85 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.5 m -70.09 -172.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.97 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.642 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -86.36 -9.43 56.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.803 -179.506 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.527 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.34 171.87 19.38 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.889 0.376 . . . . 0.0 111.071 -179.816 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 12' ' ' ARG . 13.8 p-10 -70.16 -35.42 74.0 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.124 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.6 -41.64 68.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.826 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' H ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.73 -37.78 88.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.197 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.473 ' HA ' ' CE2' ' A' ' 27' ' ' PHE . 15.7 ptp180 -74.79 -45.75 41.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.838 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.4 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 1.3 t-105 -53.46 -25.63 17.0 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.801 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -60.4 -54.88 40.33 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.872 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 6.3 m -58.85 -32.14 69.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.889 0.376 . . . . 0.0 110.43 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.79 HG22 ' CE1' ' A' ' 29' ' ' PHE . 6.1 t -68.73 -47.48 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.575 179.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 53.1 mt -72.1 -33.25 67.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.402 179.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.5 -32.43 73.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.632 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 1.5 mtt180 64.45 38.3 7.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.031 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.25 111.53 8.22 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.495 179.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.09 -13.27 38.88 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.321 2.014 . . . . 0.0 112.537 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -101.71 34.24 2.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.846 0.355 . . . . 0.0 110.749 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.809 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.43 26.87 3.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.217 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -55.47 91.76 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.948 0.404 . . . . 0.0 110.242 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.79 1.09 9.85 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.785 -0.643 . . . . 0.0 112.24 -179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.625 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -64.96 -83.21 0.02 OUTLIER 'General case' 0 C--O 1.232 0.141 0 CA-C-O 120.523 0.201 . . . . 0.0 110.665 179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.713 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -174.31 139.85 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.979 0.419 . . . . 0.0 110.99 179.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.88 HG23 ' HB2' ' A' ' 55' ' ' TYR . 4.9 m -89.83 132.62 34.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.235 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.79 ' CE1' HG22 ' A' ' 16' ' ' VAL . 2.5 m-85 -90.78 115.07 27.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.23 -179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.821 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.51 127.11 35.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.752 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.1 t -101.57 114.14 39.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.801 -179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.6 tmt_? -73.33 -28.48 62.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 18.0 p -67.57 -59.52 3.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.12 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -86.31 -23.0 26.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.35 37.8 23.33 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.852 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -126.14 153.28 34.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.845 0.355 . . . . 0.0 111.897 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.614 ' HE2' ' HB1' ' A' ' 58' ' ' ALA . 5.0 p90 -122.31 119.79 32.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.984 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.593 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.65 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 26.3 mmt180 -48.28 172.39 0.07 OUTLIER Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.263 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.65 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 95.5 Cg_exo -45.61 -51.17 8.46 Favored 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.278 1.985 . . . . 0.0 113.306 -179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.809 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 66.6 m -79.26 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.65 0 O-C-N 123.63 0.581 . . . . 0.0 112.104 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 9.6 t 73.08 151.01 0.11 Allowed 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.744 0.418 . . . . 0.0 111.321 -179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 9.6 ptt-85 -146.23 24.81 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.985 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -82.63 123.26 29.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -58.2 99.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.12 136.4 17.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.959 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 62.75 120.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.23 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 66.9 mt -76.59 -172.11 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.661 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -77.77 57.14 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.906 0.384 . . . . 0.0 110.672 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -177.8 -38.3 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.779 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -97.47 29.4 3.28 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.945 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.49 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.0 p -128.57 140.41 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.261 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.821 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.55 157.18 18.25 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.443 179.671 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -119.74 123.85 44.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.252 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.88 ' HB2' HG23 ' A' ' 28' ' ' VAL . 5.4 m-85 -126.24 139.15 53.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.332 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.644 ' HB1' ' HA ' ' A' ' 4' ' ' ALA . . . -65.27 -43.93 89.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.709 -179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -133.93 153.88 51.47 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.878 0.37 . . . . 0.0 110.791 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.614 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -59.53 -30.54 68.67 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.136 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.57 -30.29 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 61.4 mm-40 -70.9 -51.85 23.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.986 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.602 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -65.19 -41.26 94.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.385 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' O ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt -58.24 -46.68 85.49 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.016 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -36.43 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.186 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -22.66 66.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.17 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.94 56.5 0.43 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.346 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -137.82 155.8 48.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.64 0.257 . . . . 0.0 110.945 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.852 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -96.11 136.06 22.31 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.385 179.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.483 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 67.3 Cg_endo -74.96 143.44 29.19 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.308 2.006 . . . . 0.0 113.73 -178.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.1 t -115.22 115.02 26.01 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.458 -0.792 . . . . 0.0 109.68 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.0 mtpt -89.55 -168.85 2.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.896 -179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 77.53 4.67 3.07 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.283 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -116.49 32.51 6.09 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.941 0.4 . . . . 0.0 110.793 179.598 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mp0 55.34 84.4 0.21 Allowed Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.307 179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.406 ' HB3' ' NE ' ' A' ' 39' ' ' ARG . 73.4 Cg_endo -78.88 -46.23 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.554 2.169 . . . . 0.0 112.271 179.715 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 179.95 122.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.722 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 5.5 mmtt 61.7 97.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.99 -75.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.063 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -81.09 127.87 33.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.806 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.11 -37.77 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.133 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -156.54 -62.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.07 86.64 0.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.92 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.414 ' HB3' ' CB ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -177.08 124.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.629 ' HB3' HD11 ' A' ' 119' ' ' LEU . 86.2 mtm180 -74.18 -42.77 59.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.231 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' O ' HD23 ' A' ' 84' ' ' LEU . 1.6 tt -70.38 -40.45 73.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.167 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' CB ' ' HB3' ' A' ' 82' ' ' HIS . 0.4 OUTLIER -68.0 -32.36 72.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.1 mtmp? -68.47 -57.12 6.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.011 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.806 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.8 -34.64 48.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.806 ' N ' HD12 ' A' ' 87' ' ' ILE . 96.2 m -61.96 -39.39 91.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.173 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -69.95 -35.75 74.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.393 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.494 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -67.75 -43.19 80.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.046 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.5 t -55.99 -41.07 74.27 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.689 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.46 -40.37 57.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.544 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.62 -30.82 71.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.677 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.81 44.13 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.07 34.04 1.29 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.052 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -98.76 -179.45 4.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.89 -34.77 5.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.96 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.667 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.6 OUTLIER -78.21 144.57 67.17 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.886 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.667 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.6 Cg_exo -53.28 122.48 11.27 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.538 2.158 . . . . 0.0 112.32 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 11.6 p -102.57 153.07 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.062 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.713 HG22 ' HG3' ' A' ' 103' ' ' GLU . 5.5 m -66.87 136.02 54.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.1 tp -71.96 -52.47 16.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.033 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.713 ' HG3' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -60.09 -28.0 67.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.163 -179.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.471 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.83 -48.73 74.93 Favored 'General case' 0 CA--C 1.52 -0.2 0 CA-C-O 120.903 0.382 . . . . 0.0 110.033 179.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.662 HD23 HD11 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -62.45 -30.63 71.38 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 178.164 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.581 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.85 -26.56 63.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.411 178.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 23.3 t0 -68.42 -43.37 77.3 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.154 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.7 pt20 -68.57 -37.88 80.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.126 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.438 HG22 ' HA ' ' A' ' 106' ' ' ALA . 29.4 m -84.14 -19.77 9.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.36 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.2 40.51 2.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.581 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 32.4 mtm -137.24 179.58 6.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.843 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.91 165.38 20.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.571 179.764 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.16 -14.93 44.85 Favored 'Trans proline' 0 C--N 1.343 0.262 0 C-N-CA 122.509 2.14 . . . . 0.0 112.4 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -74.06 -37.24 64.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.906 0.384 . . . . 0.0 110.97 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -72.29 -51.15 22.13 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.993 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.662 HD11 HD23 ' A' ' 105' ' ' LEU . 1.2 tt -60.64 -48.32 82.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -63.38 -37.34 86.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 67.5 mmt-85 -71.8 -46.55 57.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.975 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.629 HD11 ' HB3' ' A' ' 83' ' ' ARG . 0.1 OUTLIER -64.75 -47.12 79.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.941 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -59.6 -31.41 69.44 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.945 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.07 -28.85 39.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.4 -30.18 61.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.154 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.3 m -101.51 -66.14 0.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.97 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.92 -50.52 71.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.913 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 96.36 -27.49 16.96 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.532 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 2.7 ptm -123.7 145.04 49.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -68.76 162.93 59.84 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -61.13 -26.96 83.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.533 2.156 . . . . 0.0 112.174 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 9.4 tttm -72.04 -31.52 66.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.818 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -69.96 -34.47 73.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.067 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.409 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 2.9 m95 -60.44 -49.18 78.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.427 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 56.7 mt-30 -63.55 -43.55 96.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.848 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.26 -27.35 64.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.929 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.63 -45.63 93.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.069 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.427 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 5.7 m0 -63.41 -45.57 90.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.781 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -39.63 94.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.64 -33.11 70.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.077 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.8 -35.07 67.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.891 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 39.4 ttt180 -71.55 -31.15 66.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.48 ' O ' ' HB3' ' A' ' 145' ' ' ALA . 24.6 tp -81.74 -44.0 17.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.96 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 5.4 mtp-105 -69.11 -30.76 69.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.969 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.66 -19.77 62.69 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.215 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.55 31.36 2.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.4 tp 58.46 31.33 20.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.993 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 140' ' ' LEU . . . -87.27 145.31 26.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.093 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.26 -0.876 . . . . 0.0 110.857 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.834 0.349 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.33 -77.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.949 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -80.58 145.65 31.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -98.72 161.33 13.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.076 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 t -100.9 53.52 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.811 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.683 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER 73.05 5.63 5.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.626 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.1 OUTLIER 76.49 -18.27 0.49 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 179.737 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.624 HG23 ' CB ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.53 167.55 29.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.721 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -71.96 -42.68 66.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.303 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.81 -43.98 87.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.254 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.624 ' CB ' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -59.62 -31.23 69.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.866 0.365 . . . . 0.0 110.661 179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.508 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 17.2 mtt180 -61.67 -56.29 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.446 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -50.94 -28.6 10.11 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.603 179.595 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -58.78 -54.19 49.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.999 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.55 -36.3 78.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.802 0.334 . . . . 0.0 110.673 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.876 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.8 t -64.34 -49.51 80.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.618 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -69.42 -33.21 72.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.284 179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.75 -11.96 61.26 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.177 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.418 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 15.5 ptt180 44.24 30.49 0.46 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.623 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -58.14 107.66 1.02 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.679 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -63.97 -14.91 46.14 Favored 'Trans proline' 0 C--N 1.346 0.403 0 C-N-CA 122.44 2.093 . . . . 0.0 112.289 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -96.12 31.76 2.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.777 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.6 25.56 4.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.245 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -56.87 91.41 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.038 0.446 . . . . 0.0 110.269 179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.14 0.55 10.55 Favored Glycine 0 N--CA 1.449 -0.434 0 CA-C-N 115.77 -0.65 . . . . 0.0 112.233 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.667 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.78 -83.86 0.02 OUTLIER 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.533 0.206 . . . . 0.0 110.718 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.508 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -173.04 140.7 0.91 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.771 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.8 m -91.4 135.39 27.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.799 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.876 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.7 OUTLIER -90.79 116.61 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.454 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.815 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.32 127.99 35.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.046 0.451 . . . . 0.0 111.204 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.737 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -100.79 119.4 48.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.451 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -83.79 -27.39 28.87 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.437 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.0 p -72.01 -33.51 68.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.084 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.422 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.0 OUTLIER -109.99 -27.83 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.87 179.746 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.445 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 83.7 36.05 14.85 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.326 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.737 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER -128.52 146.51 33.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.797 0.332 . . . . 0.0 111.704 -179.857 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 33.1 p90 -116.46 123.49 47.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.572 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.546 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.627 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.9 mmt180 -47.64 171.07 0.08 OUTLIER Pre-proline 0 CA--C 1.534 0.343 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.601 179.194 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.627 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 98.7 Cg_exo -45.67 -48.91 11.45 Favored 'Trans proline' 0 C--N 1.347 0.468 0 C-N-CA 122.386 2.057 . . . . 0.0 113.347 -179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.777 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.5 m -79.07 -113.35 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.553 0 O-C-N 123.581 0.551 . . . . 0.0 111.678 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.2 t 64.87 160.46 0.11 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 121.063 0.458 . . . . 0.0 111.451 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.418 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -160.13 28.4 0.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.745 179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -80.84 142.7 33.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.23 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.0 mtt-85 -66.17 99.09 0.49 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.588 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -152.01 131.17 12.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.797 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.26 110.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.514 ' H ' HD12 ' A' ' 48' ' ' LEU . 1.3 mp -68.56 -171.86 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.643 179.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -77.26 56.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.01 0.433 . . . . 0.0 110.75 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -175.64 -40.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.623 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -98.85 25.52 6.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.912 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.5 p -119.13 137.57 52.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.099 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.815 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 168.15 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.582 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 0.5 OUTLIER -129.23 134.96 48.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.941 0.401 . . . . 0.0 111.244 -179.69 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.771 ' HB2' HG23 ' A' ' 28' ' ' VAL . 7.0 m-85 -140.54 139.34 35.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.521 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -66.82 -42.63 85.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.739 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -136.18 178.38 7.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.921 0.391 . . . . 0.0 110.983 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -75.72 -36.43 59.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 62.4 p -59.64 -30.31 68.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.993 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.38 -52.08 11.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.652 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.52 -44.71 61.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.19 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.421 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.4 tt -57.84 -45.9 85.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.883 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.99 -38.82 80.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.099 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.56 -22.44 65.18 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.035 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 112.04 55.63 0.47 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.263 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.445 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 9.4 m-85 -138.24 136.83 36.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.776 0.322 . . . . 0.0 111.099 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.654 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -79.38 136.5 56.41 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.525 179.864 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 73.5 Cg_endo -76.84 143.87 23.89 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.256 1.971 . . . . 0.0 113.316 -179.18 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 14.7 t -112.4 113.88 26.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.876 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -83.16 -164.16 0.84 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.871 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 72.92 10.8 5.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.215 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.3 p -135.67 39.15 2.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.872 0.368 . . . . 0.0 110.962 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 58.86 85.17 0.19 Allowed Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.142 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -78.51 -172.61 1.56 Allowed 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.62 2.213 . . . . 0.0 112.493 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -97.37 173.61 7.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.883 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -143.23 129.85 20.23 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.877 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -156.25 -48.72 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 36.1 m120 60.31 91.94 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.928 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -89.54 -63.46 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.7 tt0 -125.41 80.98 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.32 153.91 42.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 41.3 m170 -113.82 151.63 31.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -62.38 -32.45 73.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.691 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -71.97 -27.28 62.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -71.32 -34.62 70.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.891 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.2 mttt -72.16 -53.4 12.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.035 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.75 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.04 -36.42 50.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.198 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.75 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.2 m -61.93 -40.53 95.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.972 0.415 . . . . 0.0 110.222 179.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -69.79 -33.08 71.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.424 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.462 ' CB ' HD12 ' A' ' 105' ' ' LEU . . . -73.59 -39.6 64.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.04 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -52.32 64.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.091 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -66.32 -30.04 70.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.435 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -70.56 -46.63 63.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.824 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.604 HD12 HD23 ' A' ' 105' ' ' LEU . 2.7 tt -72.48 -37.65 68.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -60.48 105.41 0.43 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.51 162.64 12.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -66.51 -33.35 75.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.857 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.36 132.69 61.78 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.816 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -67.35 116.77 4.38 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.435 2.09 . . . . 0.0 112.299 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.454 HG12 ' N ' ' A' ' 101' ' ' THR . 21.3 t -113.02 157.07 13.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.209 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.8 OUTLIER -90.75 158.29 16.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.934 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -38.74 68.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.955 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.8 pt-20 -59.93 -28.06 67.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.982 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -47.33 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.904 0.383 . . . . 0.0 110.065 179.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.604 HD23 HD12 ' A' ' 94' ' ' LEU . 4.4 mm? -62.83 -31.87 72.97 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 178.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.22 -25.85 64.51 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.382 178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.96 -40.48 75.4 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.11 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.13 -37.88 72.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.134 -179.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.529 HG23 ' H ' ' A' ' 111' ' ' MET . 36.0 m -82.59 -16.68 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.489 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.08 30.22 5.97 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.231 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.535 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 34.7 mtm -121.59 165.52 15.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.861 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.3 m -77.25 161.31 73.33 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.716 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.62 -14.98 28.65 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.568 2.179 . . . . 0.0 112.624 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -73.96 -35.54 64.52 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.806 0.336 . . . . 0.0 111.096 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.35 -50.97 26.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.019 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.558 HD21 ' CB ' ' A' ' 105' ' ' LEU . 0.4 OUTLIER -60.6 -43.89 96.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.985 -179.853 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 4.8 t-160 -63.42 -39.39 94.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.051 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 1.2 mmm180 -75.38 -47.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.021 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.631 HD23 HG23 ' A' ' 87' ' ' ILE . 1.2 tp -66.37 -48.32 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.134 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -61.14 -35.18 76.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 -179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.95 -31.22 50.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -71.28 -28.17 63.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.199 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 124' ' ' THR . 10.0 t -89.33 -47.03 8.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.063 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.714 HG23 HG23 ' A' ' 123' ' ' THR . 33.4 p -87.4 -61.07 1.8 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.972 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 117.74 -27.37 7.57 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.405 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 ptm -95.65 141.56 29.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.805 0.336 . . . . 0.0 110.823 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -66.99 164.79 31.87 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -61.73 -26.55 79.94 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.553 2.168 . . . . 0.0 112.257 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -61.85 -31.53 71.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -37.2 67.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.42 -41.88 94.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.15 -42.64 99.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.24 -31.14 60.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.868 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -42.29 98.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 27.5 t-105 -64.83 -44.82 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ttm180 -66.45 -41.02 89.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.86 -31.73 71.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.41 -33.86 76.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.805 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -76.91 -31.73 56.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.516 ' O ' HD12 ' A' ' 144' ' ' LEU . 8.3 mp -81.38 -34.37 31.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.952 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.9 mtt180 -73.22 -37.79 66.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.76 -31.27 71.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.1 t -110.24 104.57 13.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.516 HD12 ' O ' ' A' ' 140' ' ' LEU . 0.7 OUTLIER -139.62 125.7 19.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.819 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -76.92 137.86 39.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.116 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.7 mmt . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.5 mttm -136.97 124.58 22.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.19 92.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.08 148.08 26.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.117 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.415 HG22 HD23 ' A' ' 7' ' ' LEU . 2.9 m -72.57 137.34 46.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.578 ' O ' HG23 ' A' ' 8' ' ' THR . 0.8 OUTLIER -114.91 -49.93 2.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.797 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.6 OUTLIER 63.81 32.02 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.731 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.578 HG23 ' O ' ' A' ' 6' ' ' CYS . 3.9 p -136.89 177.79 7.58 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.746 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -51.5 -25.88 7.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.618 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -71.64 -42.53 67.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.889 0.376 . . . . 0.0 110.938 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.86 -39.38 69.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.636 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.793 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.9 OUTLIER -66.09 -56.5 11.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.736 -179.152 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.418 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.0 OUTLIER -55.25 -27.11 44.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.838 0.352 . . . . 0.0 110.643 179.74 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -62.14 -54.51 40.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.492 ' HG ' ' HZ ' ' A' ' 27' ' ' PHE . 0.7 OUTLIER -65.82 -41.09 92.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.916 0.389 . . . . 0.0 110.865 179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.932 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 t -60.13 -47.56 91.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 61.2 mt -69.81 -35.06 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.456 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ARG . . . -69.59 -15.91 63.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.214 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' CG ' ' O ' ' A' ' 18' ' ' ALA . 0.0 OUTLIER 44.69 38.47 2.79 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.534 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.23 110.34 5.53 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.609 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.48 -14.72 46.32 Favored 'Trans proline' 0 C--N 1.346 0.445 0 C-N-CA 122.292 1.995 . . . . 0.0 112.409 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -98.18 32.3 2.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.908 0.385 . . . . 0.0 110.698 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.682 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.34 26.79 3.62 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.24 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -57.45 89.8 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.005 0.431 . . . . 0.0 110.456 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 125.58 1.06 7.78 Favored Glycine 0 N--CA 1.45 -0.406 0 CA-C-N 115.885 -0.598 . . . . 0.0 112.435 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.682 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 6.2 mm-40 -66.33 -87.5 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.62 0.21 . . . . 0.0 110.758 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.507 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -170.02 139.35 1.84 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.917 0.389 . . . . 0.0 110.893 179.818 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.725 HG23 ' HB2' ' A' ' 55' ' ' TYR . 21.6 m -89.89 134.0 30.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.715 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.567 -179.732 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.904 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.27 130.33 35.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.034 0.445 . . . . 0.0 111.218 -179.758 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.817 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.3 t -103.05 118.3 49.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.592 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -78.52 -28.87 46.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.281 -179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 4.4 p -67.58 -49.58 62.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.119 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -96.84 -21.07 17.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.173 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 66' ' ' PHE . . . 76.73 39.4 29.19 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.608 -0.806 . . . . 0.0 111.925 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.817 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -130.52 145.87 34.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.771 0.319 . . . . 0.0 111.592 -179.647 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 21.3 p90 -117.42 123.13 45.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.937 0.399 . . . . 0.0 110.403 179.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.493 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.609 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 17.9 mmm180 -47.58 170.74 0.09 OUTLIER Pre-proline 0 CA--C 1.531 0.235 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.609 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 92.8 Cg_exo -45.48 -45.27 16.01 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.2 1.933 . . . . 0.0 112.645 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.534 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 14.6 m -79.02 -124.56 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.578 0 O-C-N 123.761 0.663 . . . . 0.0 111.191 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 71.9 162.4 0.25 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 121.024 0.44 . . . . 0.0 111.465 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 ppt_? -169.33 32.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.662 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.49 148.93 35.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.313 -179.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -71.9 99.05 2.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.698 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -160.65 138.63 9.71 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.919 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.569 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 61.77 111.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.257 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.0 mt -71.01 -171.93 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.61 179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.7 ttt-85 -77.19 57.25 1.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.089 0.471 . . . . 0.0 110.693 179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -177.18 -39.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.612 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -97.43 27.17 4.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.002 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.454 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 11.4 p -124.43 149.39 28.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.041 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.904 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -120.14 167.45 12.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.715 179.839 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE2' ' HB2' ' A' ' 12' ' ' ARG . 67.6 m-85 -134.77 124.36 25.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.073 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.725 ' HB2' HG23 ' A' ' 28' ' ' VAL . 3.9 m-85 -125.89 139.4 53.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.742 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.51 99.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.546 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -137.74 175.39 9.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.926 0.393 . . . . 0.0 110.956 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.78 -37.38 64.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.122 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.1 p -58.7 -30.25 67.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -75.27 -52.13 11.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.143 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.654 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -71.49 -45.03 63.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.215 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 37' ' ' PHE . 5.6 tt -57.78 -46.86 83.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.72 77.58 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.007 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.82 -21.55 66.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.061 179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.24 59.71 0.47 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.279 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.426 ' CE1' ' HA2' ' A' ' 35' ' ' GLY . 6.2 m-85 -141.26 136.19 31.4 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.794 0.33 . . . . 0.0 111.176 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.764 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.38 123.13 84.6 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.541 179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.511 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 37.1 Cg_endo -66.45 143.92 71.37 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.469 2.113 . . . . 0.0 113.33 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.493 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.5 t -107.56 108.57 19.92 Favored 'General case' 0 C--O 1.238 0.484 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.425 178.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -93.16 25.21 3.39 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.49 -179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 -88.74 12.01 16.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.675 179.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -123.7 -38.89 2.46 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.852 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -175.8 96.93 0.26 Allowed Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.744 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -81.49 45.31 1.94 Allowed 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.725 2.283 . . . . 0.0 113.098 -179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 57.8 112.98 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.95 0.405 . . . . 0.0 111.252 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 61.77 102.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.85 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -121.4 173.71 7.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.069 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -130.27 30.98 4.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.936 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.73 117.67 20.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.07 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 61.32 30.3 19.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.804 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -88.28 122.0 31.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.874 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -135.33 34.34 3.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.898 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.811 ' HA ' HD21 ' A' ' 119' ' ' LEU . 50.2 mtp180 -69.87 -32.92 71.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.592 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -83.12 -33.04 26.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -76.19 -32.58 59.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -69.21 -53.7 18.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.985 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.834 ' CD1' HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.69 -33.63 45.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 86.9 m -61.95 -39.64 92.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.4 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -69.75 -31.23 69.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.639 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.487 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -73.6 -46.36 47.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.121 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -57.32 -41.1 79.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.022 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 7.5 mmt-85 -74.84 -26.09 59.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.142 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.6 -28.45 64.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.159 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.5 mt -78.19 -46.53 20.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.145 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -67.03 74.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.072 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.2 8.32 3.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.349 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 52.63 23.7 2.77 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-O 120.627 0.251 . . . . 0.0 111.405 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.686 ' O ' HG23 ' A' ' 100' ' ' VAL . 1.9 m -131.8 143.58 49.69 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.021 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.54 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.2 Cg_exo -53.64 102.07 0.07 OUTLIER 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.472 2.115 . . . . 0.0 112.118 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 98' ' ' THR . 21.3 t -104.13 138.56 28.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.204 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.407 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 1.0 OUTLIER -85.76 160.99 19.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.12 -52.28 24.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.432 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.6 pt-20 -59.53 -27.93 66.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.08 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.407 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.69 -48.43 75.1 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.487 HD23 ' HB1' ' A' ' 90' ' ' ALA . 3.4 mp -62.9 -30.69 71.73 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.568 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -71.7 -26.07 62.35 Favored 'General case' 0 N--CA 1.455 -0.183 0 CA-C-N 115.283 -0.871 . . . . 0.0 110.464 178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -69.75 -36.06 75.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.099 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -75.23 -36.43 61.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.071 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.568 HG12 ' HA ' ' A' ' 106' ' ' ALA . 14.9 p -81.76 -21.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.251 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.09 43.73 3.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . . . . . . . . . 52.2 mtm -146.82 178.06 8.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 m -81.09 158.33 70.01 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.645 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -54.4 -20.11 19.36 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.579 2.186 . . . . 0.0 112.567 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -74.02 -40.87 62.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.832 0.349 . . . . 0.0 111.239 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.8 m170 -65.19 -48.28 73.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.986 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 105' ' ' LEU . 1.0 OUTLIER -60.54 -45.81 92.49 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.7 -53.27 60.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.025 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.45 -47.21 84.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.029 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.811 HD21 ' HA ' ' A' ' 83' ' ' ARG . 0.9 OUTLIER -63.65 -48.24 78.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.036 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.442 ' CE1' HG21 ' A' ' 124' ' ' THR . 15.5 t80 -63.12 -48.53 78.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.008 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.0 mttt -67.06 -33.88 76.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.95 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.33 -25.97 58.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.457 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.834 HG21 ' CD1' ' A' ' 87' ' ' ILE . 71.1 m -90.17 -64.09 1.19 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.12 -179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.442 HG21 ' CE1' ' A' ' 120' ' ' PHE . 18.3 p -75.05 -55.3 5.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.091 -179.678 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 120.71 -45.6 1.21 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.557 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.24 -171.81 3.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 0.0 111.01 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.9 p -108.6 162.03 21.43 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.971 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_exo -54.0 -49.33 17.48 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.578 2.185 . . . . 0.0 112.338 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 -31.43 72.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.921 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.86 -30.44 58.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 7.5 m95 -71.97 -50.01 32.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -59.71 -35.37 74.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.925 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -38.37 60.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -68.62 -43.5 76.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.113 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 15.7 t90 -63.46 -47.17 82.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.6 ttp-105 -61.31 -43.25 99.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.68 -33.43 70.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 10.9 mtt180 -75.66 -32.62 60.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.952 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -33.54 72.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.0 mt -75.78 -40.23 55.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 81.1 mtt180 -74.19 -27.32 60.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.975 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -96.62 38.86 1.19 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.943 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.18 146.47 26.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.8 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.6 tt 60.72 84.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.16 152.83 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.19 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.271 -0.871 . . . . 0.0 110.865 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tmm? . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.824 0.345 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.82 -50.34 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.809 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -83.84 123.59 30.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.873 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -85.35 153.56 22.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.195 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.3 t -100.45 -41.72 6.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.794 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.605 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -174.67 -61.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD21 ' HB1' ' A' ' 4' ' ' ALA . 0.2 OUTLIER 70.8 4.71 5.14 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.951 179.816 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.424 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.41 167.75 28.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.786 0.327 . . . . 0.0 110.625 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.7 -32.21 67.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.467 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -71.56 -44.27 64.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.217 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' HB2' HG23 ' A' ' 8' ' ' THR . 12.0 mt-30 -70.79 -36.08 72.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.756 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.8 ttt180 -62.54 -54.11 44.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.613 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.55 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.6 OUTLIER -56.06 -26.96 51.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.369 179.278 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.75 -54.81 41.95 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.174 179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.4 -32.32 66.71 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.798 0.333 . . . . 0.0 110.868 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.831 HG22 ' CE1' ' A' ' 29' ' ' PHE . 15.7 t -70.09 -43.24 79.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.678 179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 mt -72.1 -33.07 67.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.512 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.63 -26.35 62.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.769 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.4 mtt180 59.99 30.37 19.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.876 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 33.3 t0 -58.03 108.92 1.45 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.654 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -65.21 -14.01 42.85 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.273 1.982 . . . . 0.0 112.409 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -98.42 32.33 2.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.726 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -95.06 25.85 3.99 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.193 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -56.83 91.9 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.002 0.429 . . . . 0.0 110.298 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.9 0.7 10.77 Favored Glycine 0 N--CA 1.449 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.142 -179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.606 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -65.94 -86.08 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.875 -0.191 . . . . 0.0 110.707 179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.2 p90 -170.04 137.2 1.56 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 111.159 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.814 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.5 m -90.03 133.86 30.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.784 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.831 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -90.94 119.66 31.31 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.615 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.825 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.34 131.12 34.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.92 0.39 . . . . 0.0 111.167 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.677 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.4 t -104.14 123.39 57.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.72 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -85.41 -31.81 22.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.325 -179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.1 p -67.17 -33.03 74.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.052 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.54 -25.44 9.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.242 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.89 37.28 22.96 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.583 -0.818 . . . . 0.0 112.202 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.841 HG22 ' HB3' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -128.0 146.25 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 111.561 -179.822 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 68' ' ' PRO . 26.1 p90 -115.11 119.94 38.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.291 179.067 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.58 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.611 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 24.8 mmt180 -45.88 169.71 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.921 179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.611 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 93.2 Cg_exo -44.86 -47.49 11.75 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.564 2.176 . . . . 0.0 113.69 -179.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.726 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.0 m -78.98 -107.28 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.513 0 O-C-N 123.478 0.486 . . . . 0.0 111.968 -179.433 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.427 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 3.1 t 57.31 162.91 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.089 0.471 . . . . 0.0 111.445 -179.187 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.72 29.56 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.761 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -85.64 121.17 27.94 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 43.3 mtt-85 -66.78 99.1 0.58 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.516 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.5 t-80 -149.34 37.3 0.76 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.021 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.616 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 171.13 115.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.046 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.91 169.74 1.38 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.834 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -57.84 -22.64 48.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -99.93 -27.23 13.69 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.153 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.616 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 60.1 m-80 -96.68 33.33 1.86 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.029 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.55 HG11 ' CH2' ' A' ' 13' ' ' TRP . 12.8 p -136.71 138.61 46.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 111.264 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.825 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.56 170.96 7.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.596 179.672 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 73.6 m-85 -133.67 126.66 31.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 111.275 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.814 ' HB2' HG23 ' A' ' 28' ' ' VAL . 15.3 m-85 -130.43 139.29 50.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.577 179.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.84 -43.93 97.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.466 . . . . 0.0 112.093 -179.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -138.19 -178.29 5.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 111.234 -179.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.98 -39.72 41.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.146 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 58.1 p -58.53 -30.18 66.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.999 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -75.47 -52.14 11.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.108 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.558 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.64 -45.21 62.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 111.199 -179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.488 ' O ' HD23 ' A' ' 62' ' ' LEU . 5.7 tt -57.66 -46.56 84.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.96 -36.4 74.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.21 -20.85 63.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.143 179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.55 42.37 1.15 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.288 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.542 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 5.0 m-85 -123.54 137.16 54.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.841 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.33 132.39 62.73 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.585 179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.0 Cg_endo -73.45 146.96 40.46 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.242 1.962 . . . . 0.0 113.221 -179.31 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.403 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 13.4 t -116.55 122.21 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.899 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.85 -163.06 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.974 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.4 mtp180 70.61 12.17 7.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.163 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.427 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 1.6 p -136.58 37.98 2.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.93 0.395 . . . . 0.0 110.991 179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 57.73 81.76 0.25 Allowed Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.452 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -68.27 -79.56 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.415 2.076 . . . . 0.0 112.471 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -121.77 -40.78 2.51 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.861 0.362 . . . . 0.0 110.826 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -152.3 173.38 15.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.879 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -105.35 166.82 10.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -117.22 136.44 53.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.906 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -109.78 -41.85 4.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.109 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -166.8 105.38 0.59 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.98 111.68 6.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -177.03 155.88 1.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -71.0 -48.35 53.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.224 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.664 ' HA ' HG21 ' A' ' 123' ' ' THR . 6.9 tt -77.72 -30.3 51.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.98 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.504 ' O ' HG22 ' A' ' 88' ' ' THR . 10.1 t70 -68.45 -32.28 72.18 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.981 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -72.52 -56.74 4.91 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.987 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -58.5 -40.31 78.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.06 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 1.8 t -63.02 -39.69 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.878 0.37 . . . . 0.0 110.093 179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -69.91 -30.46 67.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.298 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.66 -46.68 45.1 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.487 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.3 p -62.77 -36.76 84.14 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.91 0.386 . . . . 0.0 110.728 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.3 mtt85 -75.34 -28.98 59.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.64 179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.734 HD23 ' NE2' ' A' ' 108' ' ' GLN . 7.2 tp -59.13 -41.49 88.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.937 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.593 HD21 HD23 ' A' ' 105' ' ' LEU . 4.8 mt -59.44 -61.92 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 58.86 30.98 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -131.63 170.16 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.937 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.5 mt-10 -109.89 -32.79 6.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.916 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.767 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -59.92 147.31 79.83 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.767 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.2 Cg_endo -66.5 104.92 0.82 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.524 2.149 . . . . 0.0 112.227 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.565 HG21 HD22 ' A' ' 94' ' ' LEU . 28.7 m -79.25 162.18 3.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.492 HG22 ' HG2' ' A' ' 103' ' ' GLU . 9.3 m -70.07 150.91 46.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.973 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -52.5 16.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.985 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.492 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.0 pt-20 -62.9 -27.96 69.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.136 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 101' ' ' THR . . . -55.66 -47.96 75.82 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-O 120.92 0.39 . . . . 0.0 109.998 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.029 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -63.63 -31.5 72.68 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.46 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -70.56 -28.79 65.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.273 178.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -66.13 -38.51 88.35 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.674 -0.693 . . . . 0.0 111.153 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.734 ' NE2' HD23 ' A' ' 93' ' ' LEU . 29.3 mt-30 -76.94 -36.42 56.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.203 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 105' ' ' LEU . 37.0 t -81.76 -21.7 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.383 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.58 41.56 3.05 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.782 0.325 . . . . 0.0 111.194 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.46 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 65.1 mtm -143.56 157.05 44.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.741 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.22 165.19 9.09 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.537 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -64.76 -13.47 39.4 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.632 2.221 . . . . 0.0 112.43 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -74.04 -45.96 46.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.084 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -65.28 -44.78 86.92 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.093 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 1.029 HD11 HD12 ' A' ' 105' ' ' LEU . 0.8 OUTLIER -60.57 -50.35 73.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.209 -179.813 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -53.27 59.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.37 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.33 -47.19 82.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.283 -179.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.43 HD23 HG23 ' A' ' 87' ' ' ILE . 3.0 tp -62.9 -38.79 92.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.122 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -74.81 -34.38 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.119 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 5.5 mttt -79.42 -30.62 42.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -74.45 -27.47 60.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.216 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.664 HG21 ' HA ' ' A' ' 84' ' ' LEU . 1.3 m -107.81 -53.78 2.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.091 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.44 -45.32 12.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.026 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 86.22 -54.48 4.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 5.7 ptm -74.85 127.21 32.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.825 0.345 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 38.8 p -64.78 160.74 51.76 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 58.5 Cg_exo -51.89 -32.98 49.43 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.603 2.202 . . . . 0.0 112.288 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.2 ttmt -67.35 -32.13 72.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.01 -32.92 69.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.098 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.425 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.0 OUTLIER -65.32 -44.93 86.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . 0.411 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 0.8 OUTLIER -60.42 -43.77 96.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.849 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -70.32 -30.51 67.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.69 -48.1 82.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.184 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.411 ' CE3' ' HA ' ' A' ' 132' ' ' GLN . 4.6 m0 -70.05 -47.73 60.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -60.1 -40.76 90.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -68.47 -50.82 49.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 24.8 mtt-85 -60.62 -29.57 69.32 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.974 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 7.8 tpt85 -72.7 -28.7 62.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.065 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.76 -30.73 13.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.081 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -50.21 12.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.052 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -110.89 -35.95 5.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 25.4 t 59.77 109.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.931 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.63 107.51 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.802 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -109.52 150.92 27.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.049 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 3.9 mptt . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.906 -179.99 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.761 0.315 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.6 mtmt -100.56 31.08 3.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.3 mttp -105.98 116.33 31.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.886 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.87 133.52 34.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.2 p -75.36 -74.27 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.78 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -141.61 -62.4 0.46 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.98 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 66.14 8.06 5.25 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.943 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.762 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.72 166.87 30.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.786 0.327 . . . . 0.0 110.558 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.79 -35.58 70.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -71.55 -44.09 65.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.213 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.762 ' HB2' HG23 ' A' ' 8' ' ' THR . 1.8 tt0 -71.04 -37.67 72.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.622 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.459 ' HG2' ' CE1' ' A' ' 27' ' ' PHE . 0.2 OUTLIER -65.09 -49.74 68.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.083 0.468 . . . . 0.0 110.244 179.583 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 3.3 t-105 -60.92 -21.84 63.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.725 179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -70.5 -54.99 10.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.485 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -53.56 -47.15 70.3 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.876 0.37 . . . . 0.0 110.861 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.469 ' CG2' ' CZ ' ' A' ' 29' ' ' PHE . 14.1 p -66.09 -33.82 66.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.18 -36.77 69.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.415 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.18 -18.89 64.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.991 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.7 mtt85 65.33 23.06 12.08 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.173 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -57.58 108.68 1.34 Allowed Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.689 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.31 -10.26 27.73 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.341 2.028 . . . . 0.0 112.462 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -96.67 27.2 4.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.753 179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.87 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -97.19 29.51 3.14 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.035 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -55.52 90.6 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.076 0.465 . . . . 0.0 110.414 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.29 4.48 8.33 Favored Glycine 0 N--CA 1.45 -0.416 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.26 -179.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.87 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 0.8 OUTLIER -62.38 -84.83 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.191 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 179.698 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.504 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 0.4 OUTLIER -167.66 142.46 3.75 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.258 -0.577 . . . . 0.0 111.776 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.794 HG13 ' O ' ' A' ' 38' ' ' SMC . 48.0 t -89.65 138.94 18.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.592 -0.731 . . . . 0.0 109.949 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CZ ' ' CG2' ' A' ' 16' ' ' VAL . 0.3 OUTLIER -106.74 113.91 27.69 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.158 -178.818 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.775 ' HB3' ' CB ' ' A' ' 53' ' ' SER . . . -88.27 127.61 35.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.764 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.863 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.3 t -100.62 121.49 51.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.582 -179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.98 -31.19 27.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.838 0.351 . . . . 0.0 110.956 -179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.2 p -65.82 -35.11 79.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.449 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -109.91 -31.65 7.33 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.049 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.4 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 88.13 34.25 9.93 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.671 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.694 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -118.92 178.1 2.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.088 0.471 . . . . 0.0 111.757 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.48 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.9 p90 -143.29 124.53 14.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.684 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.794 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.63 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 21.1 mmt180 -48.94 172.57 0.08 OUTLIER Pre-proline 0 CA--C 1.536 0.425 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.304 178.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.6 Cg_exo -48.37 -46.97 21.49 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.527 2.151 . . . . 0.0 114.022 -179.047 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.525 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 67.8 m -79.11 -102.37 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.568 0 O-C-N 123.651 0.595 . . . . 0.0 112.131 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 4.8 t 56.54 159.63 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.166 0.507 . . . . 0.0 111.616 -179.21 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.35 30.67 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.818 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.72 137.09 38.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 111.227 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.97 99.11 0.23 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.808 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.06 138.1 1.66 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.728 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.863 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 64.67 112.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.04 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 76.0 mt -66.85 178.8 1.24 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.792 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.2 ttt-85 -62.67 -17.74 61.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -103.38 -29.42 11.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.769 0.319 . . . . 0.0 111.054 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.54 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 67.7 m-80 -95.92 35.75 1.37 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.041 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.5 p -136.3 139.75 44.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.297 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.775 ' CB ' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -107.51 152.28 24.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.321 179.611 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.447 ' CD1' ' HD3' ' A' ' 12' ' ' ARG . 23.5 m-85 -107.65 149.9 27.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.011 0.434 . . . . 0.0 111.523 -179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.682 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 m-85 -152.6 164.07 38.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.434 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -95.4 -43.81 7.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.289 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.405 ' C ' HG21 ' A' ' 28' ' ' VAL . 2.7 m120 -135.12 178.96 6.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.731 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.48 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.8 -35.99 50.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.007 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.0 p -61.23 -32.53 72.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.146 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -75.35 -52.38 10.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.797 0.332 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.682 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.17 -40.32 78.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.126 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 8.4 tt -65.07 -45.95 83.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.624 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.32 -26.65 65.19 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.061 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -83.02 7.69 14.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.721 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 87.29 68.41 1.32 Allowed Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.618 -0.801 . . . . 0.0 112.443 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -151.6 136.4 17.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.678 0.275 . . . . 0.0 111.186 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.694 ' CB ' HG22 ' A' ' 36' ' ' ILE . 4.7 mtt180 -79.34 146.78 67.18 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.336 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 89.6 Cg_endo -79.22 149.63 22.17 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.629 2.219 . . . . 0.0 113.568 -178.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -130.67 107.72 9.38 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 115.564 -0.743 . . . . 0.0 110.045 178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.09 -163.76 1.01 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.773 -0.648 . . . . 0.0 110.633 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 75.1 6.39 4.24 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.795 0.331 . . . . 0.0 111.118 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.444 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.2 p -125.19 28.12 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.588 179.596 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.1 mp0 61.58 90.07 0.1 OUTLIER Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.194 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 74.6 Cg_endo -77.01 -168.02 0.54 Allowed 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.686 2.258 . . . . 0.0 112.28 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -95.56 164.53 12.75 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 61.5 99.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.81 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.53 -51.27 17.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.096 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.7 129.8 36.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -108.01 -68.27 0.91 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.015 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -87.25 103.28 15.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -169.31 -42.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.07 -37.08 64.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.58 ' HG2' HD11 ' A' ' 119' ' ' LEU . 10.9 mtt180 -63.07 -43.06 99.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.9 tt -68.52 -28.81 67.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.96 -32.46 72.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -70.31 -57.05 5.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.761 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.77 -36.94 50.95 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.041 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.761 ' N ' HD12 ' A' ' 87' ' ' ILE . 93.3 m -62.09 -40.52 96.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.188 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -32.05 70.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.531 179.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.86 -41.09 62.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 22.4 t -56.02 -52.44 64.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.279 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.488 HH21 HD12 ' A' ' 93' ' ' LEU . 0.1 OUTLIER -66.12 -30.02 70.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.039 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.488 HD12 HH21 ' A' ' 92' ' ' ARG . 4.3 tp -69.57 -43.5 72.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.712 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.9 tt -96.0 42.74 1.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -98.83 31.15 3.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 10.5 mt-30 -104.52 149.86 25.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.878 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.6 -31.47 72.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.3 m -76.77 138.85 66.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.64 119.17 6.16 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.571 2.181 . . . . 0.0 112.242 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 101' ' ' THR . 27.0 t -103.37 159.04 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.97 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.49 ' N ' HG12 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -66.94 125.71 26.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.773 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 23.2 mt -65.04 -42.7 94.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.3 pt-20 -57.51 -27.77 62.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.219 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.62 -47.24 76.9 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.7 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.1 mm? -63.83 -30.57 71.65 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 178.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.63 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.65 -30.07 65.32 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.249 178.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.25 -48.34 81.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.035 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -69.92 -31.45 69.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.901 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 105' ' ' LEU . 35.5 t -81.85 -18.19 11.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.296 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 68.28 42.86 1.61 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.122 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.63 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 52.9 mtm -147.36 -176.67 5.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.832 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.93 165.57 18.4 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.705 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.22 -15.99 47.99 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.54 2.16 . . . . 0.0 112.345 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -74.03 -38.35 64.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.882 0.372 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -45.92 69.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.89 -39.73 94.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.985 -179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.2 -52.85 63.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.11 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.2 mtt85 -64.0 -42.03 97.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.041 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.58 HD11 ' HG2' ' A' ' 83' ' ' ARG . 4.6 tp -66.66 -49.45 66.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.069 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.626 ' CZ ' HG21 ' A' ' 124' ' ' THR . 8.1 t80 -60.33 -49.25 78.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.998 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -62.2 -28.97 70.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.046 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.28 -47.67 81.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.113 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 13.9 m -87.07 -62.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.031 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.626 HG21 ' CZ ' ' A' ' 120' ' ' PHE . 20.8 p -57.12 -55.83 29.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.023 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.7 -27.71 10.19 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.537 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 7.1 mtp -135.97 156.83 48.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.898 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -81.65 165.23 45.16 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.436 ' HB3' HD22 ' A' ' 94' ' ' LEU . 18.3 Cg_endo -60.1 -28.54 87.22 Favored 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.538 2.158 . . . . 0.0 112.167 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.8 -32.13 67.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.818 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.91 -30.03 58.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.061 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -72.44 -37.03 68.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 54.1 mt-30 -65.76 -43.91 87.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.993 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -73.13 -26.05 61.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.016 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.68 -41.89 98.18 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.085 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 5.0 m0 -73.89 -35.93 64.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.97 -47.32 80.86 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -61.99 -32.98 73.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.43 -31.29 60.31 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 43.2 mtt180 -76.88 -32.27 57.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.2 mp -85.27 -31.86 22.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 20.0 ttt-85 -70.8 -31.85 68.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.9 -32.34 21.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.859 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 2.7 t -80.31 -66.19 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -82.67 119.37 24.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.22 51.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.127 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.863 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.769 0.319 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.0 99.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -89.06 130.73 35.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -72.32 115.01 11.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.125 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' HA ' ' CZ ' ' A' ' 12' ' ' ARG . 1.5 p -133.35 24.45 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.053 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 5.9 m 55.44 173.22 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.102 0.477 . . . . 0.0 111.105 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.443 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -54.28 -25.28 22.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.032 179.062 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.55 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -158.29 159.69 36.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.6 -179.581 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.89 -29.5 64.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.881 179.667 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -71.61 -39.47 70.47 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.419 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.55 ' HB2' HG23 ' A' ' 8' ' ' THR . 59.8 tp60 -59.16 -36.71 75.77 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.157 -179.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.598 ' O ' HG23 ' A' ' 16' ' ' VAL . 39.7 mtp180 -59.13 -56.21 25.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.874 -179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -55.9 -22.46 25.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -68.83 -54.89 13.19 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.296 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -57.47 -32.12 66.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.8 0.333 . . . . 0.0 111.043 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.964 HG13 ' CE2' ' A' ' 29' ' ' PHE . 3.4 t -64.6 -49.5 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.19 -32.29 66.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.44 -23.29 65.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.322 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.2 OUTLIER 63.54 27.07 14.94 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.976 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -52.54 106.64 0.69 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.781 179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -69.43 -14.67 37.5 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.327 2.018 . . . . 0.0 112.322 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -96.48 29.07 3.04 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.654 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.826 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -95.72 28.49 3.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.269 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -56.34 90.72 0.01 OUTLIER 'General case' 0 C--O 1.232 0.162 0 CA-C-O 121.116 0.484 . . . . 0.0 110.257 179.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.46 4.89 11.68 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.725 -0.671 . . . . 0.0 112.109 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.826 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.63 -79.88 0.04 OUTLIER 'General case' 0 CA--C 1.521 -0.161 0 CA-C-O 120.594 0.235 . . . . 0.0 110.753 179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 12' ' ' ARG . 0.2 OUTLIER -170.95 141.9 1.78 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.184 0.516 . . . . 0.0 111.683 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.888 HG13 ' O ' ' A' ' 38' ' ' SMC . 61.5 t -90.77 131.58 37.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.309 179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.964 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -96.01 112.43 24.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.401 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 125.98 34.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.462 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG11 ' ND1' ' A' ' 46' ' ' HIS . 2.2 t -97.2 109.28 22.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.917 -179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -23.02 62.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.073 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.689 ' O ' HG23 ' A' ' 34' ' ' THR . 16.4 p -91.96 42.72 1.11 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.926 0.393 . . . . 0.0 110.788 179.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.689 HG23 ' O ' ' A' ' 33' ' ' THR . 0.2 OUTLIER 177.06 -36.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.557 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 88.02 34.16 10.15 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.402 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.615 HG22 ' HB2' ' A' ' 67' ' ' ARG . 1.2 pt -122.3 177.74 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.196 0.522 . . . . 0.0 111.6 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.527 ' HB2' HG12 ' A' ' 28' ' ' VAL . 8.2 p90 -150.31 135.74 18.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.145 179.366 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.888 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 19.1 mmt180 -49.1 171.37 0.11 Allowed Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.006 178.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.2 Cg_exo -46.27 -43.8 20.82 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 121.936 1.757 . . . . 0.0 112.531 -179.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.5 m -78.91 -125.33 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.532 0 O-C-N 123.755 0.66 . . . . 0.0 110.968 179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.6 t 67.47 156.04 0.11 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 120.979 0.419 . . . . 0.0 111.261 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -161.6 28.2 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.829 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.46 130.41 42.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.2 ttt85 -57.45 98.97 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.483 ' ND1' HG11 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -161.98 140.06 8.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.8 -179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.521 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 60.54 110.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.075 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.474 ' H ' HD12 ' A' ' 48' ' ' LEU . 3.1 mp -70.04 -171.9 0.48 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.667 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.3 57.19 1.84 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.094 0.473 . . . . 0.0 110.673 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -176.06 -38.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.781 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -97.7 29.58 3.3 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.098 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.521 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 10.2 p -130.19 133.57 63.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.014 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.52 130.98 54.8 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.714 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -82.99 149.81 26.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.789 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 13.0 m-85 -146.84 159.19 43.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.565 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -90.99 -43.77 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.237 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -140.28 170.6 15.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.5 -38.74 74.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.153 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.85 -30.45 68.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.037 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -75.42 -52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.62 -32.1 67.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.193 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.442 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 9.3 tt -68.28 -45.83 72.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.86 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.43 75.09 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.089 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.65 -26.69 68.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 118.88 51.92 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.317 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.0 m-85 -137.55 140.64 41.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.79 0.328 . . . . 0.0 110.941 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.615 ' HB2' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.4 150.24 73.36 Favored Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.513 179.707 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.443 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 98.3 Cg_endo -85.21 145.97 9.82 Favored 'Trans proline' 0 N--CA 1.462 -0.382 0 C-N-CA 122.592 2.195 . . . . 0.0 113.703 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 44.5 t -118.74 108.21 14.6 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.784 178.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.8 -158.56 0.5 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.71 -179.626 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 66.3 12.78 8.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.113 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 2.8 p -129.63 31.71 4.72 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.972 0.415 . . . . 0.0 110.751 179.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 56.47 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.182 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.279 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.41 ' HA ' ' HB3' ' A' ' 39' ' ' ARG . 63.2 Cg_endo -73.48 -44.24 0.56 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.493 2.129 . . . . 0.0 112.391 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -154.49 -45.67 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 8.3 mmtm -139.97 -49.67 0.47 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.823 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.36 -80.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.148 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -121.43 119.32 31.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.1 87.51 2.67 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.09 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 61.39 110.47 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -146.23 137.1 24.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.07 131.83 53.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.805 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.48 ' HA ' HD21 ' A' ' 119' ' ' LEU . 18.7 ptt-85 -59.16 -42.66 91.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.976 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.853 ' O ' HD23 ' A' ' 84' ' ' LEU . 6.2 tt -71.26 -30.08 65.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.997 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 63.7 m-20 -72.15 -32.31 66.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.73 ' HG2' HG13 ' A' ' 109' ' ' VAL . 0.0 OUTLIER -70.2 -56.02 7.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.088 -179.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.736 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -55.93 -37.98 50.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.192 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.736 ' N ' HD12 ' A' ' 87' ' ' ILE . 91.4 m -61.91 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.101 179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -69.96 -34.86 73.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.519 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -67.91 -44.27 77.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.127 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.92 -42.56 76.29 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.38 -32.15 60.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.54 -16.97 64.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.343 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.607 HD12 HD21 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -95.98 29.0 2.89 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.146 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -99.93 54.82 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.925 0.393 . . . . 0.0 110.871 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -115.0 -29.93 6.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.17 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.21 32.7 5.91 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.975 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -131.61 166.9 24.71 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.807 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 40.6 Cg_endo -67.1 102.04 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.494 2.129 . . . . 0.0 112.239 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.6 t -115.59 148.74 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.221 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 81.8 p -81.12 157.86 25.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.57 -47.6 53.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.94 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 6.1 pt-20 -57.74 -27.87 63.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.119 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.52 -47.32 76.47 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.969 0.414 . . . . 0.0 109.968 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.607 HD21 HD12 ' A' ' 94' ' ' LEU . 1.2 mp -63.83 -30.88 71.93 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 178.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.53 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.16 -30.94 67.07 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.266 178.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.15 -48.34 82.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.958 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -64.84 -35.73 82.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.991 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.73 HG13 ' HG2' ' A' ' 86' ' ' LYS . 21.8 t -81.78 -20.45 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.332 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.69 31.08 10.0 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.169 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.53 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 53.4 mtm -133.7 168.98 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.85 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.8 m -77.96 162.62 66.74 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.745 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.94 -16.62 33.11 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.611 2.207 . . . . 0.0 112.523 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -73.98 -42.03 61.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.842 0.353 . . . . 0.0 111.088 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -67.77 -48.49 66.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.033 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.631 HD12 HG21 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -60.64 -47.89 84.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.06 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -58.57 -38.99 79.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -75.46 -40.68 57.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.966 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.48 HD21 ' HA ' ' A' ' 83' ' ' ARG . 1.0 OUTLIER -65.75 -42.4 90.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.947 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -66.25 -38.55 88.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 -27.84 57.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.033 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -72.1 -28.85 63.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.295 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.443 HG21 ' HG ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER -107.07 -66.85 0.99 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.987 -179.881 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.468 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -70.61 -39.94 73.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.789 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.53 31.29 60.99 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.444 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 33.8 mtp -143.77 151.07 39.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.766 0.317 . . . . 0.0 110.979 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.414 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 40.7 p -83.38 156.23 66.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.414 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 17.2 Cg_endo -57.66 -28.09 80.07 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.588 2.192 . . . . 0.0 112.131 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -76.0 -35.48 59.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.51 -37.37 80.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.146 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.468 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -60.37 -47.15 87.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.781 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -72.97 -43.57 62.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -59.79 -35.56 74.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.918 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.79 -40.53 72.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.12 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -48.08 75.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.004 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ptp180 -69.01 -30.53 68.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.22 -34.0 61.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.081 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.6 mtp180 -74.53 -30.84 61.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.3 mmt85 -75.37 -27.37 59.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.918 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.51 -42.44 20.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.036 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.05 -30.84 68.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.992 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -110.44 31.13 6.17 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.867 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.74 -42.87 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.855 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.6 158.82 43.03 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.948 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -108.54 105.6 15.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.068 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.181 -0.914 . . . . 0.0 110.885 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 mtm . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.679 0.276 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -145.12 103.82 3.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.924 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.4 mttp -87.48 122.41 31.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.756 ' HB1' ' O ' ' A' ' 25' ' ' GLY . . . -70.83 99.77 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.065 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.5 p -154.13 147.86 25.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.935 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.422 ' HB2' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m -65.88 -173.83 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.034 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -82.96 -11.18 58.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.475 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.528 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.2 171.76 19.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.866 0.365 . . . . 0.0 110.869 -179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -71.77 -34.28 69.32 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.152 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -71.57 -43.5 66.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.072 -179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' H ' HG23 ' A' ' 8' ' ' THR . 5.6 tp-100 -59.25 -46.61 88.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.107 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.469 ' CB ' ' CE2' ' A' ' 27' ' ' PHE . 9.6 ptp180 -60.88 -47.14 87.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.968 0.413 . . . . 0.0 110.894 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.531 ' CH2' HG11 ' A' ' 52' ' ' VAL . 3.8 t-105 -55.16 -24.12 25.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.04 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -66.4 -54.83 19.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.22 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 4.7 m -54.14 -32.91 56.52 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.845 0.355 . . . . 0.0 110.724 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.874 HG22 ' CE1' ' A' ' 29' ' ' PHE . 32.3 t -63.97 -49.65 80.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.614 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -72.4 -34.51 67.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.724 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' HG2' ' A' ' 19' ' ' ARG . . . -67.07 -14.29 62.76 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.376 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.478 ' CB ' ' HB3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 46.56 39.36 6.71 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.564 179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -65.36 110.14 3.95 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.581 179.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.61 -14.01 42.66 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.245 1.963 . . . . 0.0 112.305 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -100.57 33.39 2.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.708 ' HB3' ' OG ' ' A' ' 41' ' ' SER . . . -94.87 26.85 3.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.18 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -56.4 91.77 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.016 0.436 . . . . 0.0 110.164 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.756 ' O ' ' HB1' ' A' ' 4' ' ' ALA . . . 121.57 2.22 10.69 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.726 -0.67 . . . . 0.0 112.108 -179.25 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.649 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -65.06 -82.97 0.02 OUTLIER 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.511 0.196 . . . . 0.0 110.771 179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' CE2' ' CB ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -174.48 143.14 0.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.136 0.493 . . . . 0.0 111.429 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 38' ' ' SMC . 64.9 t -90.19 131.75 36.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.448 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.874 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.6 m-85 -93.59 113.28 25.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.905 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.845 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 123.59 33.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.032 0.444 . . . . 0.0 110.583 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.451 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.2 t -96.54 112.82 29.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.527 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -73.59 -36.47 65.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.01 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.8 p -59.82 -58.69 7.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.998 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.451 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -83.58 -32.99 25.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.734 179.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.5 33.05 9.6 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.594 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.851 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.3 pt -117.96 -179.6 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.192 0.52 . . . . 0.0 111.638 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.453 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 11.9 p90 -147.49 134.16 19.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.56 -0.745 . . . . 0.0 109.809 179.379 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.868 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.535 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 6.6 mpt_? -44.67 170.54 0.05 OUTLIER Pre-proline 0 N--CA 1.464 0.248 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.796 178.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.535 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 82.2 Cg_exo -46.9 -45.66 20.2 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.274 1.983 . . . . 0.0 113.086 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.708 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 75.2 m -78.78 -106.83 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.561 0 O-C-N 123.443 0.464 . . . . 0.0 111.928 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.429 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 4.4 t 58.33 156.55 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 120.938 0.399 . . . . 0.0 111.171 -179.121 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HB3' ' CB ' ' A' ' 19' ' ' ARG . 4.3 ppt_? -152.7 21.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.203 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -91.59 -167.15 1.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.743 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.6 98.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.826 0.345 . . . . 0.0 110.447 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.444 ' CD2' ' CG1' ' A' ' 16' ' ' VAL . 15.2 p80 -108.72 47.51 0.91 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.867 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . 63.31 141.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.091 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.9 mt -57.86 -176.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -82.66 57.34 3.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.889 0.376 . . . . 0.0 110.77 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -177.31 -40.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.572 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 74.7 m-20 -98.55 35.23 1.85 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.736 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.657 ' HB ' ' HB3' ' A' ' 47' ' ' ALA . 12.3 p -125.18 146.12 31.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.253 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.845 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -124.02 146.57 48.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.581 179.65 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.435 ' CD2' ' HD3' ' A' ' 12' ' ' ARG . 10.4 m-85 -97.09 145.27 26.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.939 0.4 . . . . 0.0 111.287 -179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.711 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.6 m-85 -143.71 162.51 35.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.683 179.841 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.65 -43.98 8.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.239 -179.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.4 ' C ' HG21 ' A' ' 28' ' ' VAL . 7.7 p-10 -142.13 -178.01 5.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -75.46 -42.24 53.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -30.2 67.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.99 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -75.13 -52.12 11.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.195 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.711 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.17 -34.05 68.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.337 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.42 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.9 tt -68.57 -45.88 70.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.871 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.07 -35.7 73.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.71 -26.87 68.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.125 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 119.92 52.84 0.26 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.363 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -136.81 145.9 45.04 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.75 0.31 . . . . 0.0 110.947 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.851 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.07 154.49 77.5 Favored Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.146 179.62 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 77.2 Cg_endo -88.6 146.27 5.9 Favored 'Trans proline' 0 N--CA 1.459 -0.52 0 C-N-CA 122.581 2.187 . . . . 0.0 114.232 -178.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 47.6 t -128.03 106.01 8.78 Favored 'General case' 0 C--O 1.237 0.428 0 CA-C-N 115.384 -0.826 . . . . 0.0 109.616 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 27.8 pttt -87.27 -161.49 0.7 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.028 -179.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 71.76 10.44 6.31 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.107 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.429 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.5 OUTLIER -126.83 32.84 5.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.978 0.418 . . . . 0.0 110.74 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.7 mm100 59.81 112.1 0.02 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.477 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HA ' ' HG3' ' A' ' 39' ' ' ARG . 97.1 Cg_endo -78.96 174.54 12.05 Favored 'Trans proline' 0 C--N 1.347 0.499 0 C-N-CA 122.583 2.189 . . . . 0.0 112.418 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -152.66 103.57 2.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.915 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt 59.77 103.83 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -122.69 33.89 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -169.16 110.44 0.48 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.866 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -88.23 106.96 18.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.083 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 60.2 96.54 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.874 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.7 mm100 -146.1 -177.12 5.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.41 106.13 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.861 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.759 ' HB2' HD11 ' A' ' 119' ' ' LEU . 3.4 ptt180 -74.17 -33.23 63.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.992 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.558 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -71.41 -34.16 70.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.837 179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -76.28 -32.47 58.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.9 mttp -68.0 -53.89 22.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.815 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.77 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.18 -35.01 46.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.77 ' N ' HD12 ' A' ' 87' ' ' ILE . 79.4 m -62.07 -39.24 91.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.47 179.718 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -69.91 -31.78 69.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.635 179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.448 ' HB1' ' HG ' ' A' ' 105' ' ' LEU . . . -73.1 -45.91 54.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.106 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 49.3 t -55.92 -41.94 75.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.073 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -75.46 -30.55 59.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -44.87 95.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.972 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.463 ' O ' HD12 ' A' ' 94' ' ' LEU . 1.6 pp -97.98 34.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.932 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -131.63 82.26 2.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.953 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -138.07 -56.67 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -176.96 -40.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.3 m -111.87 142.31 26.46 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.859 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.8 158.06 6.82 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.262 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -134.94 153.12 34.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.1 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.782 HG23 ' HB2' ' A' ' 104' ' ' ALA . 10.2 t -66.95 134.72 52.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.31 -39.09 68.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.499 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.0 OUTLIER -58.23 -27.99 64.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.257 -179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.782 ' HB2' HG23 ' A' ' 101' ' ' THR . . . -55.72 -49.29 73.44 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.448 ' HG ' ' HB1' ' A' ' 90' ' ' ALA . 1.9 mm? -61.7 -30.99 71.11 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -69.52 -26.46 64.53 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.265 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -70.76 -36.39 73.07 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.163 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.33 -37.85 43.59 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.17 -179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -82.02 -16.91 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.336 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.76 34.13 4.54 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.22 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.414 ' H ' HG23 ' A' ' 109' ' ' VAL . 37.4 mtm -127.69 -172.78 2.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.21 165.89 14.0 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.776 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -65.12 -13.47 39.96 Favored 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.558 2.172 . . . . 0.0 112.483 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -73.38 -39.61 64.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.867 0.365 . . . . 0.0 110.922 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -72.21 -48.02 46.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.057 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.3 mt -62.95 -49.32 75.21 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.017 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 -58.95 -40.38 84.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.037 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -75.52 -37.36 60.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.952 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.759 HD11 ' HB2' ' A' ' 83' ' ' ARG . 13.9 tp -72.76 -37.66 67.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.999 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -67.96 -49.15 63.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.879 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.92 -30.24 69.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.12 79.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.158 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 20.7 m -85.68 -66.36 0.91 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 61.8 p -59.23 -36.9 76.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 106.03 -27.53 17.08 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.615 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.1 167.24 13.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.897 0.38 . . . . 0.0 110.903 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.408 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 43.9 p -78.52 155.51 78.73 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.863 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.408 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 30.5 Cg_endo -63.56 -28.74 70.11 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.557 2.171 . . . . 0.0 112.19 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -73.46 -30.88 63.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.757 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.56 -34.35 69.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.026 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -48.99 78.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -67.74 -36.95 81.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -72.86 -38.36 67.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.22 -41.17 98.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.025 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 20.7 t90 -65.53 -41.92 92.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -74.87 -31.65 61.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -75.95 -33.1 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -72.33 -31.5 65.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -75.79 -31.35 59.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 5.0 tt -82.26 -32.33 29.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.82 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.95 -34.24 68.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.979 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -78.58 -34.1 47.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 3.2 m 59.6 167.53 0.07 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.959 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -67.95 0.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.828 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.42 154.6 21.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.063 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.12 -0.943 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.796 0.331 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -106.7 95.66 5.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -97.94 165.72 11.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.978 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -84.67 169.74 14.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.025 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.6 p 56.22 173.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.992 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 22.5 m -76.71 -166.72 0.71 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -84.53 -20.16 32.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.603 179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.525 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.2 OUTLIER -158.25 167.36 29.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.377 -179.701 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.93 -34.25 68.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.147 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -43.65 65.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.506 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.525 ' H ' HG23 ' A' ' 8' ' ' THR . 1.8 tp-100 -58.91 -30.08 67.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.482 -0.327 . . . . 0.0 110.986 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.3 mtp180 -61.39 -52.89 62.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.048 0.451 . . . . 0.0 110.172 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.53 ' HB3' HD23 ' A' ' 17' ' ' LEU . 3.4 m95 -51.06 -33.97 27.91 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.748 179.649 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -53.99 -40.82 67.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.462 -179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -74.46 -37.43 63.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.697 0.285 . . . . 0.0 111.239 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.95 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 14.8 t -75.84 -49.64 25.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.304 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.53 HD23 ' HB3' ' A' ' 13' ' ' TRP . 3.5 mm? -64.53 -28.97 70.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.876 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.56 -27.99 45.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.232 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB2' ' CD ' ' A' ' 43' ' ' ARG . 8.6 ttt180 68.22 26.3 7.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.037 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -52.21 106.3 0.64 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.924 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_endo -66.4 -14.29 43.5 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.279 1.986 . . . . 0.0 112.39 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.2 m-20 -97.25 29.39 3.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.94 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.665 ' HB1' ' HG3' ' A' ' 26' ' ' GLU . . . -95.41 24.15 5.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.155 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -56.82 91.87 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.993 0.425 . . . . 0.0 110.303 179.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.14 -2.25 7.8 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.754 -0.657 . . . . 0.0 112.239 -179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.665 ' HG3' ' HB1' ' A' ' 23' ' ' ALA . 1.7 mm-40 -64.39 -86.68 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 N-CA-C 110.515 -0.18 . . . . 0.0 110.515 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 10.7 p90 -173.98 144.05 0.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.864 0.364 . . . . 0.0 110.977 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.676 HG23 ' HB2' ' A' ' 55' ' ' TYR . 18.6 m -89.62 132.04 35.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.508 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.95 ' CZ ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -92.43 118.34 30.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.779 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.832 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.27 131.66 34.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.116 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.5 t -98.49 110.59 26.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.692 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -71.1 -19.17 62.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.361 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.714 ' O ' HG23 ' A' ' 34' ' ' THR . 30.9 p -93.62 35.37 1.13 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.878 0.37 . . . . 0.0 110.953 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.714 HG23 ' O ' ' A' ' 33' ' ' THR . 0.6 OUTLIER -176.39 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.626 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.55 33.56 7.91 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.233 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.678 HG22 ' CB ' ' A' ' 67' ' ' ARG . 2.1 pt -121.3 175.8 4.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.909 0.385 . . . . 0.0 111.561 -179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 3.3 p90 -150.25 122.45 8.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.52 179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.516 ' HA ' ' HB3' ' A' ' 69' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.664 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 31.6 mmm180 -48.57 172.38 0.08 OUTLIER Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.377 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 77.8 Cg_exo -42.75 -50.13 6.2 Favored 'Trans proline' 0 C--N 1.351 0.668 0 C-N-CA 122.1 1.867 . . . . 0.0 112.124 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.453 ' O ' ' CB ' ' A' ' 42' ' ' CYS . 1.0 OUTLIER -79.5 -139.04 0.03 OUTLIER 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.489 -0.778 . . . . 0.0 110.567 178.911 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.453 ' CB ' ' O ' ' A' ' 41' ' ' SER . 3.7 t 89.35 153.55 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.132 0.573 . . . . 0.0 111.933 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.438 ' CD ' ' HB2' ' A' ' 19' ' ' ARG . 10.1 ttt-85 -157.53 68.43 0.53 Allowed 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.114 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -104.7 124.41 49.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.364 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.9 99.17 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -176.17 164.32 2.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.789 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.668 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 60.76 111.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.3 mt -66.78 -173.55 0.24 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.796 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.7 mtp180 -65.02 -29.71 70.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.14 -24.93 16.06 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.022 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.668 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 13.7 m-20 -96.26 35.59 1.44 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.963 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.446 ' O ' HG13 ' A' ' 52' ' ' VAL . 12.1 p -138.65 122.88 20.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.306 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.832 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 1.2 m -107.53 156.26 19.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.604 179.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -124.02 129.89 51.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.931 0.396 . . . . 0.0 111.171 -179.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.676 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.1 m-85 -125.69 139.32 53.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.48 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.73 -43.92 97.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.32 176.58 8.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.946 0.403 . . . . 0.0 110.862 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.36 57.01 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.209 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 82.2 p -56.88 -30.2 63.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.025 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -71.34 -51.82 22.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.931 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.534 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -70.67 -45.13 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.262 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.5 tt -58.46 -45.14 89.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.972 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.08 -36.26 74.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -64.24 -19.46 65.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.143 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.19 56.96 0.54 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.232 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -138.67 151.21 46.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.678 ' CB ' HG22 ' A' ' 36' ' ' ILE . 0.5 OUTLIER -92.53 133.8 29.02 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.474 ' N ' ' CE1' ' A' ' 37' ' ' PHE . 72.6 Cg_endo -77.55 142.26 20.57 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.516 2.144 . . . . 0.0 113.618 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.516 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 11.6 t -107.75 108.56 19.83 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.492 178.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.23 26.51 3.29 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.473 -179.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -89.67 11.69 19.09 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.701 179.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.15 -40.74 2.47 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.583 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -176.61 86.75 0.27 Allowed Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.827 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.3 126.08 19.47 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.624 2.216 . . . . 0.0 112.4 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -117.72 -38.23 3.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.986 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 1.4 mtmp? -82.81 95.01 7.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -77.28 -45.93 24.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.049 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -84.47 96.51 9.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.953 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.26 -44.06 31.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.53 103.69 6.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -140.82 29.96 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 32.0 m-70 -110.17 -31.96 7.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 23.8 mtm105 -74.13 -48.31 30.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.519 HD23 ' C ' ' A' ' 84' ' ' LEU . 9.2 tt -69.03 -29.09 67.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.975 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -70.9 -32.48 69.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.922 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -68.58 -57.13 6.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.143 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.44 -36.47 47.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.178 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.764 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.2 m -62.07 -40.56 96.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.17 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -70.0 -35.95 74.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.905 ' HB1' HD22 ' A' ' 105' ' ' LEU . . . -66.7 -46.47 75.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.043 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 25.0 t -58.58 -43.47 89.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.3 mmt-85 -75.4 -26.89 58.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.052 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.0 tt -68.77 -29.87 68.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.052 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.747 HD23 HD21 ' A' ' 105' ' ' LEU . 3.6 pp -101.16 32.24 3.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.981 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -64.73 87.23 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -152.78 166.73 31.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -89.66 -31.75 17.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.519 HG22 ' HD2' ' A' ' 99' ' ' PRO . 1.8 m -80.77 143.14 53.64 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.519 ' HD2' HG22 ' A' ' 98' ' ' THR . 52.2 Cg_exo -52.87 117.6 3.89 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.438 2.092 . . . . 0.0 112.33 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 94' ' ' LEU . 9.7 p -90.27 146.04 6.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 6.9 p -67.4 126.56 29.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.23 -42.78 93.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.893 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.441 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.8 pt-20 -59.64 -27.91 66.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.86 -48.11 76.12 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.905 HD22 ' HB1' ' A' ' 90' ' ' ALA . 3.3 mt -63.02 -30.7 71.8 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.624 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -71.21 -25.54 62.55 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.363 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.65 -42.55 77.78 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.157 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mm100 -69.07 -37.81 78.7 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.136 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 106' ' ' ALA . 34.5 m -83.27 -17.69 10.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.393 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.6 37.54 4.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.86 0.362 . . . . 0.0 111.156 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.624 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 36.1 mtm -130.23 162.68 28.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.8 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.49 165.23 47.19 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.661 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_endo -61.91 -16.25 48.29 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.517 2.144 . . . . 0.0 112.455 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -73.92 -36.41 64.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.896 0.379 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 -50.04 57.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.446 HD21 HD13 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -60.49 -45.96 91.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.089 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -60.19 -52.99 62.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.038 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -36.67 75.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.062 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.717 HD12 HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -66.71 -51.05 60.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.971 -179.883 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 124' ' ' THR . 0.7 OUTLIER -64.13 -44.26 92.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.062 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.25 -35.03 78.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.38 57.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.282 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 8.5 m -91.96 -67.53 0.85 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.201 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 120' ' ' PHE . 3.0 t -88.33 -39.59 14.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.189 -179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.63 49.8 13.4 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.463 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 79.8 mtp -143.62 156.86 44.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.814 0.34 . . . . 0.0 110.847 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.95 164.7 16.84 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.935 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -59.86 -35.05 95.11 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.601 2.2 . . . . 0.0 112.076 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.44 -30.94 65.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.825 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -75.44 -39.65 58.56 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.063 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -42.48 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.927 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -71.3 -41.78 69.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -71.27 -38.74 71.85 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.76 -40.76 84.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.113 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -63.43 -43.28 97.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -68.77 -38.79 80.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.798 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.46 70.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.107 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 15.4 ttp180 -67.1 -31.13 71.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.95 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.5 -34.18 76.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.85 -45.86 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.958 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.92 -42.58 66.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.866 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -96.38 41.67 1.1 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.927 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 62.6 p -79.55 133.29 36.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 5.5 tp 61.03 79.51 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -86.78 160.33 18.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.12 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.861 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mtm . . . . . 0 N--CA 1.485 1.304 0 CA-C-O 120.84 0.352 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.0 tptp -107.94 -66.69 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.7 mmtm -100.29 144.14 29.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.841 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.507 ' O ' HG23 ' A' ' 5' ' ' THR . . . -110.86 154.01 24.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.189 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 4' ' ' ALA . 3.3 p -159.78 -78.52 0.06 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.749 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.502 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 52.9 m -133.63 -80.39 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.041 0.448 . . . . 0.0 110.784 179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD13 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -170.46 -35.25 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.401 -179.725 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.673 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -137.45 152.74 49.89 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.691 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -63.53 -28.57 70.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.741 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -43.61 65.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.673 ' HB2' HG23 ' A' ' 8' ' ' THR . 2.0 tp60 -59.29 -30.31 68.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.154 -179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.563 ' O ' HG23 ' A' ' 16' ' ' VAL . 6.1 mtp180 -71.98 -53.28 13.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.038 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.563 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.26 -23.15 8.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.237 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -67.62 -54.99 15.1 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.311 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.75 -32.02 67.05 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.894 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.932 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.5 t -69.44 -47.18 74.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.981 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -67.05 -30.92 71.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.143 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -75.53 -25.55 57.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.403 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.0 ttt180 63.58 28.09 15.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -53.61 106.98 0.74 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.832 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -65.85 -15.32 48.53 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.283 1.989 . . . . 0.0 112.268 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -98.13 32.02 2.56 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.621 179.68 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.899 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -95.47 27.33 3.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.201 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -54.66 92.32 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 121.045 0.45 . . . . 0.0 110.419 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.59 1.88 9.82 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.266 -179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.899 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 4.8 mm-40 -63.95 -83.42 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 O-C-N 122.872 -0.193 . . . . 0.0 110.652 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.48 ' HB3' HG22 ' A' ' 5' ' ' THR . 0.1 OUTLIER -173.49 146.56 1.36 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.129 0.49 . . . . 0.0 111.451 179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.768 HG13 ' O ' ' A' ' 38' ' ' SMC . 38.4 t -89.95 134.01 30.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.626 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.932 ' CE2' HG13 ' A' ' 16' ' ' VAL . 8.5 m-85 -95.37 112.94 24.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.084 -179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.906 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.68 129.2 35.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.817 179.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.567 HG13 ' HB2' ' A' ' 47' ' ' ALA . 2.8 t -106.66 124.82 62.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.981 -179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -85.71 -30.88 22.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.956 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 12.2 p -64.54 -47.88 77.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.7 -23.0 15.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.232 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.04 38.35 26.7 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 120.457 -0.877 . . . . 0.0 112.084 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.611 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.6 OUTLIER -126.14 159.54 34.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.043 0.449 . . . . 0.0 111.775 -179.738 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.511 ' HB2' ' CG1' ' A' ' 28' ' ' VAL . 11.0 p90 -125.48 133.58 52.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.822 179.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.768 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.629 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.1 mmt180 -53.96 175.43 0.15 Allowed Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.615 178.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.629 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 90.8 Cg_exo -46.47 -49.66 11.52 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.013 1.808 . . . . 0.0 112.637 -179.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.472 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 7.4 m -78.97 -131.63 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.094 179.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' HB2' ' CB ' ' A' ' 72' ' ' CYS . 7.8 t 83.6 153.36 0.09 Allowed 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 122.945 0.498 . . . . 0.0 111.619 179.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -161.87 70.16 0.32 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.324 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -121.42 114.77 21.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.074 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 2.2 ttm180 -59.43 99.02 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.436 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 1.2 t60 -158.78 35.87 0.22 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.028 0.442 . . . . 0.0 110.716 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.641 ' HB1' ' O ' ' A' ' 51' ' ' ASN . . . 175.55 110.52 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.802 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' O ' HG12 ' A' ' 52' ' ' VAL . 3.6 mp -65.02 169.93 4.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.816 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 ttt-85 -54.77 -24.32 21.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -94.0 -31.34 14.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.811 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.641 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 86.7 m-20 -98.2 32.61 2.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.886 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.563 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -133.79 127.93 53.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.183 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.906 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.56 170.98 7.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.737 179.811 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -123.77 143.49 50.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.972 0.415 . . . . 0.0 111.186 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.727 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 12.9 m-85 -143.11 163.4 32.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.692 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.13 -44.06 9.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.238 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.07 -176.67 4.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.488 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -78.95 -43.27 24.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.2 p -58.03 -30.3 66.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.151 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 20.6 mm-40 -75.29 -51.98 11.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.093 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.727 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -70.56 -34.12 71.86 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.109 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.438 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 7.5 tt -64.63 -46.02 84.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.13 -38.38 79.51 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.167 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.5 -23.58 67.02 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.06 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 114.75 60.68 0.38 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.4 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -144.34 138.25 27.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.733 0.302 . . . . 0.0 111.034 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.611 ' CB ' HG22 ' A' ' 36' ' ' ILE . 38.0 mtt85 -79.21 137.96 56.35 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.379 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 44.1 Cg_endo -68.59 149.86 74.39 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.409 2.073 . . . . 0.0 113.647 -178.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 41.9 t -131.48 105.16 7.4 Favored 'General case' 0 C--O 1.237 0.431 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.099 178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.7 mttt -90.44 -161.98 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.543 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.1 mtt85 73.59 7.29 5.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.119 -179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.416 ' CB ' ' HB2' ' A' ' 42' ' ' CYS . 0.8 OUTLIER -119.08 33.39 5.67 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 121.027 0.441 . . . . 0.0 110.51 179.554 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 61.47 89.37 0.11 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.343 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -76.68 -167.28 0.44 Allowed 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.578 2.186 . . . . 0.0 112.136 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -108.31 85.04 2.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.989 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -176.84 37.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.08 167.71 29.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.158 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 -95.53 90.84 5.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.945 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.64 -44.91 73.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.077 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -152.39 93.37 1.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.36 -166.89 0.92 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -119.65 -63.83 1.33 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.672 ' CG ' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -68.55 -42.16 78.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.957 -179.878 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.811 ' O ' HD23 ' A' ' 84' ' ' LEU . 5.8 tt -75.26 -29.26 60.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.13 -32.5 66.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.946 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 mtmt -68.42 -57.04 6.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.993 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.636 HG22 ' CD1' ' A' ' 120' ' ' PHE . 2.6 pp -56.94 -37.72 55.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.944 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.535 ' N ' HD12 ' A' ' 87' ' ' ILE . 90.0 m -62.01 -40.48 95.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.146 179.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.89 -29.71 66.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.354 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.59 ' HB1' HD11 ' A' ' 105' ' ' LEU . . . -73.62 -46.3 47.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.088 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 1.6 m -56.32 -40.58 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.973 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -75.06 -30.17 60.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.778 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.11 -46.17 68.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.924 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.801 HD11 HG11 ' A' ' 100' ' ' VAL . 5.1 tp -60.08 -54.15 49.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.961 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 61.39 102.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.435 ' HB3' ' CE3' ' A' ' 135' ' ' TRP . 1.3 mp0 -59.62 113.59 2.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.43 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.826 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.554 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -125.58 140.93 37.63 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.784 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.554 ' HD2' HG22 ' A' ' 98' ' ' THR . 38.4 Cg_endo -66.86 113.46 2.79 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.456 2.104 . . . . 0.0 112.218 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.801 HG11 HD11 ' A' ' 94' ' ' LEU . 11.7 p -116.98 158.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.094 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 104' ' ' ALA . 7.2 t -85.81 162.36 18.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.854 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 5.4 mp -70.32 -46.79 63.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.352 -179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.416 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 0.0 OUTLIER -57.2 -27.89 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.238 -179.748 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.517 ' H ' HG23 ' A' ' 101' ' ' THR . . . -55.58 -47.39 76.53 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.887 0.375 . . . . 0.0 109.994 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD13 HD13 ' A' ' 94' ' ' LEU . 8.1 tp -63.64 -30.64 71.72 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.089 -0.708 . . . . 0.0 109.089 178.065 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.781 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.3 -27.81 62.69 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.403 178.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -67.67 -37.91 83.01 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -73.21 -37.82 66.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.003 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.831 HG21 HD21 ' A' ' 116' ' ' LEU . 30.4 m -86.33 -10.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.549 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 63.39 44.46 5.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.909 0.385 . . . . 0.0 111.15 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.781 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 39.2 mtm -143.73 -173.36 3.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -95.51 164.1 19.82 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.666 179.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.17 -16.08 48.32 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.589 2.193 . . . . 0.0 112.503 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -74.02 -34.73 64.24 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.9 -45.65 63.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.054 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.831 HD21 HG21 ' A' ' 109' ' ' VAL . 3.9 mm? -60.59 -37.86 82.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -53.35 20.19 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.227 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -61.81 -35.79 79.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.178 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.672 HD11 ' CG ' ' A' ' 83' ' ' ARG . 4.2 tp -72.78 -48.31 39.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.163 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 87' ' ' ILE . 6.7 m-85 -64.01 -49.16 73.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.072 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -57.58 -45.06 85.68 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.071 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -63.59 -23.52 67.42 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.415 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 1.5 m -98.41 -66.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.85 0.357 . . . . 0.0 111.41 -179.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -35.13 16.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.512 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.65 28.01 36.88 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.453 -0.88 . . . . 0.0 112.36 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.6 mtp -136.1 169.36 17.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.829 0.347 . . . . 0.0 110.768 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.39 165.85 14.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.07 -40.33 68.39 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.599 2.199 . . . . 0.0 112.304 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -34.92 78.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.884 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.33 -36.74 84.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.108 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 2.3 m95 -67.98 -48.81 64.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.903 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 43.9 mt-30 -63.12 -37.62 87.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.932 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -72.81 -34.65 67.02 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.877 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.22 -40.4 59.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.088 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.435 ' CE3' ' HB3' ' A' ' 96' ' ' GLN . 0.0 OUTLIER -63.88 -44.23 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.879 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -68.89 -41.18 78.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -69.79 -33.54 72.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.106 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -71.02 -33.07 69.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.964 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -30.8 67.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.8 tp -86.37 -33.95 20.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.6 mtt85 -77.43 -31.39 53.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.872 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -96.78 40.94 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.05 -179.8 4.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.967 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.1 mt 60.89 99.09 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.831 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -71.84 132.04 43.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.076 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.325 -0.845 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 ttt . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.887 0.375 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 ttpp -145.87 109.69 4.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.77 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -82.61 132.42 35.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' A' ' 56' ' ' ALA . . . -107.99 157.17 18.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.172 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' CG2' ' HD3' ' A' ' 12' ' ' ARG . 0.2 OUTLIER 61.51 161.96 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.01 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.768 ' O ' HD23 ' A' ' 7' ' ' LEU . 10.1 m -79.62 -70.81 0.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.116 0.484 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD12 HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER 175.71 -33.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 0.0 110.487 -179.405 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.98 HG22 HD12 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -137.87 172.53 12.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.601 -179.077 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -71.93 -36.49 69.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.302 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -71.13 -42.31 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.42 -179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HG23 ' A' ' 8' ' ' THR . 6.4 tp60 -59.13 -30.39 68.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.163 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.513 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 65.9 mtm180 -74.23 -49.43 23.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.946 0.403 . . . . 0.0 110.957 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.431 ' HA ' ' CE3' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -52.7 -24.3 8.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.072 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.63 -54.87 25.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.551 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.413 ' HB2' ' CZ ' ' A' ' 27' ' ' PHE . 1.3 m -57.29 -34.74 68.99 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.331 -179.424 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.917 HG13 ' CE2' ' A' ' 29' ' ' PHE . 11.8 t -65.14 -42.6 94.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -72.02 -28.3 63.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.97 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -81.68 -10.02 59.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.583 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.419 ' HB3' ' HD3' ' A' ' 43' ' ' ARG . 10.2 ptt180 43.91 31.15 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.767 0.318 . . . . 0.0 111.42 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 21' ' ' PRO . 2.2 t70 -55.73 108.08 1.08 Allowed Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 20' ' ' ASP . 35.4 Cg_endo -64.72 -14.85 47.09 Favored 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 122.394 2.063 . . . . 0.0 112.301 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -97.73 31.23 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.988 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.525 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -96.36 27.13 3.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.025 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -56.24 92.6 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.942 0.401 . . . . 0.0 110.701 179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 120.6 2.9 11.55 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.106 -0.569 . . . . 0.0 112.473 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.525 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -67.65 -86.01 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.588 0.232 . . . . 0.0 110.826 179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.513 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 1.1 p90 -169.08 138.51 2.14 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.872 0.368 . . . . 0.0 110.829 -179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.796 HG23 ' HB2' ' A' ' 55' ' ' TYR . 5.7 m -89.98 134.86 27.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.917 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.3 OUTLIER -91.14 115.43 28.01 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.67 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.703 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.31 131.02 34.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.5 t -103.4 122.57 56.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.671 -179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -29.08 27.84 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.4 p -69.48 -34.9 75.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.023 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 -25.76 9.6 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.193 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.8 37.21 20.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.57 -0.824 . . . . 0.0 112.215 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.751 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -128.48 146.97 33.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-O 120.866 0.365 . . . . 0.0 111.69 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 29' ' ' PHE . 18.9 p90 -115.83 122.69 46.15 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.303 179.054 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.573 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.602 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 25.4 mmt180 -47.89 169.4 0.13 Allowed Pre-proline 0 C--O 1.232 0.167 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.407 179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.602 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 96.5 Cg_exo -44.49 -45.55 12.78 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.247 1.964 . . . . 0.0 112.236 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.473 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 9.5 m -79.28 -130.38 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.717 179.271 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 t 78.64 159.03 0.18 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.085 0.469 . . . . 0.0 111.765 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' O ' ' HG2' ' A' ' 43' ' ' ARG . 66.0 ttt-85 -164.75 63.71 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.208 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -116.01 115.84 26.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.058 -179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mtp180 -65.44 98.97 0.38 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.859 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -154.69 32.27 0.41 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.146 0.498 . . . . 0.0 110.69 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 176.77 108.77 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.621 179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 3.5 mt -64.6 -172.5 0.08 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.952 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.31 58.07 4.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.503 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -173.18 -38.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.567 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -93.71 20.57 7.35 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.895 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 30' ' ' ALA . 11.8 p -126.73 149.45 31.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.878 0.371 . . . . 0.0 111.322 -179.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.703 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -122.58 127.95 50.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.659 179.75 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -88.31 123.96 33.43 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.069 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.796 ' HB2' HG23 ' A' ' 28' ' ' VAL . 8.5 m-85 -126.03 139.47 53.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.769 179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.805 ' HB1' ' HB1' ' A' ' 4' ' ' ALA . . . -62.88 -43.97 97.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.093 -0.503 . . . . 0.0 112.09 -179.097 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -138.72 -178.47 5.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.946 0.403 . . . . 0.0 111.236 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.05 -41.11 43.78 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.317 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.2 p -56.79 -31.51 64.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -75.45 -52.19 11.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.5 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -69.62 -45.11 69.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.263 -179.795 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 4.0 tt -57.88 -44.64 86.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.113 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.89 -38.0 77.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -60.12 -20.39 58.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.06 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.75 41.99 1.27 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.201 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.53 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 3.6 m-85 -122.49 138.81 54.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.731 0.3 . . . . 0.0 110.949 -179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.746 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -79.46 138.16 55.37 Favored Pre-proline 0 C--N 1.331 -0.228 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.146 179.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 90.6 Cg_endo -81.5 140.55 12.0 Favored 'Trans proline' 0 N--CA 1.463 -0.309 0 C-N-CA 122.441 2.094 . . . . 0.0 113.75 -178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.509 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 20.7 t -107.06 99.78 9.31 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.409 178.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 pttm -85.09 -1.57 57.0 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.747 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -53.76 -23.91 13.4 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.915 0.388 . . . . 0.0 110.745 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 1.8 p -95.43 17.98 13.52 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.109 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.0 mt-30 62.07 143.86 0.06 OUTLIER Pre-proline 0 C--N 1.333 -0.148 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.139 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 80.2 Cg_endo -78.04 -37.77 0.75 Allowed 'Trans proline' 0 C--N 1.346 0.446 0 C-N-CA 122.525 2.15 . . . . 0.0 112.329 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -161.71 -44.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.994 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -164.57 -71.94 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.864 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -100.11 -178.41 3.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -92.61 -54.67 3.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . 60.59 -176.54 0.11 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.045 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.53 100.63 0.38 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -129.15 -170.3 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 42.9 m-70 60.02 29.34 18.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.001 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 mtt-85 -71.41 -48.29 50.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' O ' HD23 ' A' ' 84' ' ' LEU . 8.4 tt -71.76 -30.9 66.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.856 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -32.54 74.24 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.851 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 33.7 mttt -71.07 -57.08 4.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.01 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.818 HD12 ' N ' ' A' ' 88' ' ' THR . 2.9 pp -57.68 -32.36 42.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.004 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.818 ' N ' HD12 ' A' ' 87' ' ' ILE . 95.4 m -63.11 -38.08 89.74 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 179.637 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -69.74 -32.6 71.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.537 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.688 ' HB3' ' HE1' ' A' ' 120' ' ' PHE . . . -73.7 -42.61 61.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.918 179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -56.11 -43.45 78.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.5 mtt180 -74.2 -30.91 62.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.72 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -25.89 65.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.0 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.23 35.05 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.952 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -89.4 -174.45 4.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 66.51 -176.1 0.19 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.885 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -113.2 31.24 6.58 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.648 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.2 OUTLIER -106.25 144.23 28.55 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.933 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.648 ' HD2' HG22 ' A' ' 98' ' ' THR . 50.7 Cg_exo -53.72 103.35 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.428 2.086 . . . . 0.0 112.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 98' ' ' THR . 21.5 t -93.93 116.7 35.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.226 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 12.9 p -70.51 135.3 48.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.58 -44.34 96.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.996 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 3.2 pt-20 -57.66 -27.85 63.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.191 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.7 -47.64 76.48 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.636 HD23 ' HB1' ' A' ' 90' ' ' ALA . 10.6 mp -63.42 -30.63 71.73 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.612 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -72.18 -27.14 62.38 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 115.415 -0.812 . . . . 0.0 110.403 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -69.54 -48.38 60.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 109' ' ' VAL . 13.4 pt20 -63.24 -37.85 88.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 105' ' ' LEU . 35.4 m -84.53 -19.44 9.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.38 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.22 36.85 5.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.836 0.351 . . . . 0.0 111.167 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.612 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 44.2 mtm -138.39 173.94 11.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.65 164.3 40.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.21 -22.83 20.98 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.636 2.224 . . . . 0.0 112.366 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -73.26 -35.64 66.24 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.017 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -71.74 -48.24 48.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.2 tp -64.85 -40.14 94.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 2.4 m170 -58.9 -53.15 61.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.072 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.88 -39.62 90.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.016 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 12.0 tp -62.14 -44.59 96.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.688 ' HE1' ' HB3' ' A' ' 90' ' ' ALA . 0.2 OUTLIER -68.7 -45.73 70.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 -179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.1 mtpt -61.67 -32.8 73.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.043 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.13 -23.85 57.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.375 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.549 HG21 HG12 ' A' ' 87' ' ' ILE . 11.4 m -92.61 -67.66 0.84 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.764 0.316 . . . . 0.0 111.349 -179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 5.0 t -93.58 -35.04 13.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.417 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 83.85 37.61 11.42 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.545 -0.836 . . . . 0.0 112.547 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 4.3 mtm -146.48 176.59 9.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.777 0.322 . . . . 0.0 110.826 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.401 ' HB ' ' HD2' ' A' ' 128' ' ' PRO . 0.6 OUTLIER -118.64 167.57 11.39 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.401 ' HD2' ' HB ' ' A' ' 127' ' ' THR . 57.5 Cg_exo -51.68 -41.29 62.34 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.544 2.163 . . . . 0.0 112.259 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 10.9 mttp -66.91 -41.05 87.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.72 -42.32 91.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.05 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.408 ' CE3' ' HA ' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.38 -48.1 83.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -60.3 -34.64 74.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.1 -32.06 71.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.88 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.82 -43.04 80.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.064 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 18.3 t90 -71.78 -38.36 70.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.806 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.457 ' O ' HD23 ' A' ' 140' ' ' LEU . 12.9 mtm180 -69.76 -40.32 76.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -67.98 -32.43 72.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.148 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -74.91 -32.65 61.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.96 -31.7 69.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.829 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.457 HD23 ' O ' ' A' ' 136' ' ' ARG . 3.4 mm? -79.41 -43.89 22.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.881 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -71.45 -37.56 71.38 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.89 37.67 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 46.2 m -77.52 118.72 20.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -99.73 129.0 45.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.874 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -104.45 143.7 32.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 4.9 tttt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.206 -0.902 . . . . 0.0 110.888 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.807 0.337 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.86 136.15 36.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.789 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -93.89 122.42 36.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -80.62 148.96 30.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.195 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.585 HG22 ' NE ' ' A' ' 12' ' ' ARG . 10.0 t -76.32 -47.51 23.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.067 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.503 ' C ' ' HG ' ' A' ' 7' ' ' LEU . 68.1 m -101.65 -81.07 0.49 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.147 0.499 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.605 HD13 HG22 ' A' ' 8' ' ' THR . 0.0 OUTLIER -171.07 -34.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.128 -179.632 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.614 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -138.66 161.09 38.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.521 -179.175 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -71.78 -28.75 63.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.744 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 -71.66 -40.33 69.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.403 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' HB2' HG23 ' A' ' 8' ' ' THR . 29.4 tp60 -59.2 -40.96 87.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 0.0 111.034 -179.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.585 ' NE ' HG22 ' A' ' 5' ' ' THR . 5.2 mtp180 -66.36 -51.31 58.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.161 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.853 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.6 t-105 -52.93 -24.13 8.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.97 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -54.8 29.15 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.412 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 1.1 m -59.42 -32.29 70.05 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.888 0.375 . . . . 0.0 110.719 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.845 HG13 ' CE2' ' A' ' 29' ' ' PHE . 4.8 t -65.66 -48.93 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.859 179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.56 -34.43 72.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.648 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -24.39 67.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.097 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HG2' ' CB ' ' A' ' 43' ' ' ARG . 0.3 OUTLIER 58.9 32.0 21.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.911 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -58.63 108.81 1.45 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -65.68 -16.38 53.19 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.321 2.014 . . . . 0.0 112.322 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 18.7 m-80 -102.83 36.09 2.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.678 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.825 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.23 26.95 3.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.233 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.23 93.33 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.011 0.434 . . . . 0.0 110.399 179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.16 0.91 10.49 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.843 -0.617 . . . . 0.0 112.245 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.825 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 14.3 mm-40 -65.23 -84.44 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 120.551 0.215 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HD2' HG21 ' A' ' 5' ' ' THR . 0.1 OUTLIER -171.37 146.06 2.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.142 0.496 . . . . 0.0 111.417 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.858 HG13 ' O ' ' A' ' 38' ' ' SMC . 61.2 t -89.98 131.6 36.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.544 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CE2' HG13 ' A' ' 16' ' ' VAL . 7.5 m-85 -93.71 111.75 23.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.111 -179.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.797 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 122.32 31.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.606 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.407 ' O ' ' N ' ' A' ' 35' ' ' GLY . 1.8 t -93.4 106.53 18.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.469 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -26.42 65.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.143 -179.556 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 16.4 p -68.68 -59.26 3.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.091 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.448 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -83.88 -30.4 26.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.945 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.407 ' N ' ' O ' ' A' ' 31' ' ' VAL . . . 90.07 33.21 9.05 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.508 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.704 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.1 pt -120.43 179.89 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.114 0.483 . . . . 0.0 111.681 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.479 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 10.4 p90 -146.56 133.45 20.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.937 179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.858 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.642 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 13.3 mmm180 -46.5 170.23 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.506 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.642 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 73.0 Cg_exo -42.56 -46.98 7.88 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.476 2.117 . . . . 0.0 113.332 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.425 ' O ' ' CE2' ' A' ' 29' ' ' PHE . 94.0 p -78.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.537 0 O-C-N 123.612 0.57 . . . . 0.0 111.477 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.4 t 82.84 151.71 0.09 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 122.845 0.458 . . . . 0.0 111.43 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' CB ' ' HG2' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -153.94 25.53 0.49 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.714 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.97 132.79 36.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.131 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.1 mtt85 -60.48 99.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.61 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.11 134.66 12.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.834 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . 60.39 110.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.183 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -69.9 -171.85 0.46 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.541 179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.0 ttt180 -76.94 56.96 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.105 0.478 . . . . 0.0 110.56 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -175.81 -40.54 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.56 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -98.51 27.59 4.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.853 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.2 p -119.93 136.76 55.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.066 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.797 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.8 OUTLIER -107.61 154.87 20.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.436 ' CZ ' ' HB3' ' A' ' 12' ' ' ARG . 1.3 m-85 -111.47 140.13 46.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.936 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.751 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 14.2 m-85 -142.23 162.51 35.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.673 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -94.77 -43.75 8.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.287 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 22.9 t30 -139.85 168.85 18.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.479 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -67.24 -38.94 86.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.9 p -59.62 -30.64 68.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.002 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -75.33 -52.24 11.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.234 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.751 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.43 -38.0 71.41 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.236 -179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' HB2' ' CE2' ' A' ' 37' ' ' PHE . 6.8 tt -62.2 -45.56 92.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.79 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.05 78.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.087 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.57 -24.01 67.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.021 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.07 57.29 0.36 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.88 -0.676 . . . . 0.0 112.355 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -141.98 140.54 32.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.704 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.6 mtt180 -79.31 147.59 69.02 Favored Pre-proline 0 C--N 1.331 -0.209 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.346 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.459 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 92.2 Cg_endo -81.09 156.1 19.89 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.645 2.23 . . . . 0.0 113.785 -178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.438 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 37.4 t -131.77 101.8 5.61 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.717 178.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -89.92 -3.28 58.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.498 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -53.5 -23.21 9.69 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.936 0.398 . . . . 0.0 110.865 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.439 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 2.9 p -92.2 15.96 12.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.472 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 61.41 146.89 0.08 OUTLIER Pre-proline 0 C--N 1.331 -0.235 0 CA-C-O 120.744 0.307 . . . . 0.0 111.187 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -79.77 -43.39 0.14 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.628 2.219 . . . . 0.0 112.473 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -160.19 -44.76 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 24.5 mtmt -67.89 -178.1 0.92 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.874 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.2 -56.81 0.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.117 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -76.29 128.41 34.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.945 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -135.13 -46.57 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -125.32 89.39 3.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.44 95.8 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.884 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 -112.18 -30.3 7.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.056 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.46 ' HA ' HD21 ' A' ' 119' ' ' LEU . 24.4 ptt180 -58.05 -37.54 74.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.052 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.643 HD23 HD11 ' A' ' 87' ' ' ILE . 1.6 tt -77.54 -30.65 52.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.18 -33.45 69.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 mttt -72.16 -53.95 11.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.009 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.743 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -57.14 -36.21 50.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.194 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.743 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.9 m -62.02 -39.95 94.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.951 0.405 . . . . 0.0 110.267 179.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.82 -31.72 69.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.601 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 1.044 ' HB1' HD21 ' A' ' 105' ' ' LEU . . . -73.09 -44.68 60.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.019 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 15.3 t -55.99 -41.23 74.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.939 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.3 ttt-85 -75.38 -28.86 59.67 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.949 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.06 -42.43 94.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.977 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.444 HD23 ' CH2' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -60.92 -54.31 46.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.953 -179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -56.83 90.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.068 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -159.12 164.25 35.43 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -75.13 -33.45 61.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.1 m -75.37 138.34 71.41 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.829 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.65 132.99 26.47 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.427 2.085 . . . . 0.0 112.349 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 6.4 m -129.78 143.64 40.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.097 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.417 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 33.3 p -94.01 172.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.798 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -70.98 -52.46 19.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.836 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 4.4 pt-20 -62.38 -28.05 69.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.417 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.76 -47.83 76.33 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 1.044 HD21 ' HB1' ' A' ' 90' ' ' ALA . 5.7 tp -62.86 -32.2 73.39 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 178.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.602 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.1 -27.38 65.54 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.369 178.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -68.14 -40.44 82.42 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.021 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -67.0 -37.85 84.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.067 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.402 ' O ' ' HB3' ' A' ' 110' ' ' ALA . 13.0 m -81.68 -15.07 12.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.475 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 66.57 39.13 3.86 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.602 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 41.0 mtm -145.52 160.64 41.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.799 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.1 m -71.6 163.45 66.15 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.678 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_exo -56.02 -19.63 27.01 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.569 2.179 . . . . 0.0 112.488 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -71.98 -39.78 69.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.07 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -68.9 -36.87 78.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.073 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 105' ' ' LEU . 50.1 tp -72.62 -40.04 66.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.06 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -64.08 -53.26 52.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.08 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 2.5 mmm180 -56.73 -39.25 73.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.156 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.548 HD23 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -72.86 -40.19 65.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.014 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 5.0 t80 -70.99 -37.12 72.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.54 -33.71 73.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.015 -179.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.3 -26.03 58.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.675 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 124' ' ' THR . 12.3 t -100.36 -31.75 11.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.701 0.286 . . . . 0.0 111.417 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.855 HG23 HG23 ' A' ' 123' ' ' THR . 8.9 p -114.41 -45.86 3.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 111.045 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.96 43.23 22.78 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 1.4 mtp -128.46 -176.32 3.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.332 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -122.45 169.11 10.22 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.858 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.94 -42.91 55.62 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.604 2.203 . . . . 0.0 112.298 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -65.78 -47.29 75.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.82 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.84 71.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.077 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.588 ' HH2' HD22 ' A' ' 105' ' ' LEU . 20.3 t90 -77.64 -42.35 35.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -72.98 -43.86 61.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -66.89 -25.35 66.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.2 97.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.051 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 4.4 t90 -66.41 -42.88 87.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.876 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.92 -38.09 76.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.87 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -71.97 -33.14 67.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.069 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -75.04 -31.95 61.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.05 -31.71 68.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.39 -35.29 25.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.893 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -37.22 84.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.81 -34.47 71.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.5 86.47 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.91 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 8.7 tp -98.79 -33.56 10.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -101.37 139.28 37.26 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.875 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtt . . . . . 0 N--CA 1.486 1.331 0 CA-C-O 120.851 0.357 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.2 mttm -116.29 -56.84 2.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.832 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 6.7 mmtt -80.57 131.74 35.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.847 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.36 144.79 41.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.1 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.5 p -151.85 -66.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.783 ' O ' HD23 ' A' ' 7' ' ' LEU . 52.7 m -112.24 -73.79 0.66 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.092 0.473 . . . . 0.0 110.907 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.04 HD12 HG22 ' A' ' 8' ' ' THR . 0.1 OUTLIER 175.5 -31.83 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.381 -179.221 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 1.04 HG22 HD12 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -143.38 165.62 27.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.654 -178.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.92 -29.91 64.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.955 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -71.53 -43.79 65.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.113 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.717 ' HB2' HG23 ' A' ' 8' ' ' THR . 1.4 tm0? -59.41 -42.91 92.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.971 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.439 ' O ' HG23 ' A' ' 16' ' ' VAL . 34.4 mtt180 -67.28 -55.83 12.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.406 ' CE3' ' HA ' ' A' ' 13' ' ' TRP . 0.1 OUTLIER -50.99 -24.44 3.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.276 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -70.53 -54.85 10.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.222 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.76 -32.0 29.08 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.883 0.373 . . . . 0.0 111.021 -179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 HG22 ' CZ ' ' A' ' 29' ' ' PHE . 1.5 t -70.93 -49.61 48.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.939 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.37 -28.83 69.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.767 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -78.11 -26.08 47.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.189 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HG3' ' HG2' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 62.32 27.66 16.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.939 0.4 . . . . 0.0 110.715 -179.821 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.0 109.07 1.53 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.793 179.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.01 -9.55 26.7 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.241 1.961 . . . . 0.0 112.479 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -94.92 26.61 3.52 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.834 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.804 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.64 26.93 4.14 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.124 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.5 p-10 -55.22 91.95 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.026 0.441 . . . . 0.0 110.466 179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.28 2.18 9.15 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.867 -0.606 . . . . 0.0 112.313 -179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.804 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 1.2 mm-40 -62.03 -87.35 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.479 ' CE2' ' CZ ' ' A' ' 29' ' ' PHE . 1.0 OUTLIER -166.74 141.45 4.15 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.506 -0.478 . . . . 0.0 111.506 179.727 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 38' ' ' SMC . 43.3 t -89.54 131.76 35.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.146 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.479 ' CZ ' ' CE2' ' A' ' 27' ' ' PHE . 8.8 m-85 -97.4 114.71 26.57 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.478 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.913 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.46 127.11 35.51 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.861 179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.678 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.7 t -101.99 125.46 56.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.585 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -85.23 -39.57 17.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.333 -179.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.3 p -58.77 -31.08 68.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.054 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.456 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.3 OUTLIER -112.42 -33.41 6.19 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.96 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.69 34.73 9.87 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.365 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.79 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -118.96 178.64 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.166 0.507 . . . . 0.0 111.601 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.562 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 26.3 p90 -144.58 125.55 14.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.707 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.81 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.586 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 27.7 mmt180 -46.36 169.45 0.09 OUTLIER Pre-proline 0 CA--C 1.532 0.287 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.551 178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.586 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 91.2 Cg_exo -45.94 -44.91 18.18 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.408 2.072 . . . . 0.0 113.518 -179.295 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.3 t -78.92 -106.17 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.56 0 O-C-N 123.428 0.455 . . . . 0.0 112.053 -179.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.42 ' N ' ' HB2' ' A' ' 72' ' ' CYS . 3.9 t 55.43 163.83 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.087 0.47 . . . . 0.0 111.296 -179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.407 ' HG2' ' HG3' ' A' ' 19' ' ' ARG . 0.1 OUTLIER -173.31 36.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.8 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -86.78 139.7 30.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.083 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -74.99 99.15 3.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.512 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 0.9 OUTLIER -158.88 36.46 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.678 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 171.95 112.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.034 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.572 ' H ' HD12 ' A' ' 48' ' ' LEU . 5.1 mp -61.48 171.3 1.51 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.73 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 8.8 ttt85 -56.68 -24.93 52.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.968 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -100.46 -24.72 14.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.593 ' O ' ' HB1' ' A' ' 47' ' ' ALA . 26.4 m-80 -96.14 30.47 2.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.926 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.7 p -129.08 134.61 63.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.112 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.913 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -107.55 163.91 12.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.327 179.619 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -120.46 155.65 33.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.956 0.408 . . . . 0.0 111.342 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 11.0 m-85 -158.31 157.11 31.82 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -85.91 -43.37 13.28 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.077 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.43 ' C ' HG21 ' A' ' 28' ' ' VAL . 11.0 m120 -136.69 177.06 8.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.821 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.562 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -76.15 -34.52 59.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.09 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 m -61.2 -42.01 97.83 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -64.67 -52.35 57.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.02 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.89 -41.92 82.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.927 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 37' ' ' PHE . 9.5 tt -62.64 -46.3 88.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.52 179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -61.47 -23.45 65.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.245 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -86.68 16.11 5.04 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.692 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.5 66.55 1.67 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.662 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -149.82 135.01 18.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.79 ' HB3' HG22 ' A' ' 36' ' ' ILE . 3.4 mtt180 -79.27 147.0 67.98 Favored Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.225 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 93.8 Cg_endo -78.96 151.09 23.88 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.548 2.166 . . . . 0.0 113.77 -178.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 42.5 t -132.42 109.81 10.1 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.036 178.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -87.62 -158.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.837 -179.764 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' A' ' 70' ' ' LYS . 0.2 OUTLIER 68.01 11.57 8.42 Favored 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.281 -179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 42' ' ' CYS . 1.6 p -131.11 28.27 4.77 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.934 0.397 . . . . 0.0 110.609 179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mp0 56.45 102.87 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.281 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 39' ' ' ARG . 73.9 Cg_endo -75.43 -168.5 0.54 Allowed 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.522 2.148 . . . . 0.0 112.331 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -80.13 -31.65 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -152.92 100.75 2.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -82.89 -76.06 0.29 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -101.9 126.51 48.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.808 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.46 -44.09 53.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.05 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.7 91.71 2.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.844 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 -145.56 124.9 13.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 29.1 p-80 -113.41 -36.39 4.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.451 ' HG2' HD11 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -67.68 -46.9 70.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.944 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.788 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.4 tt -70.58 -29.54 65.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.956 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -70.51 -32.4 69.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.004 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.74 -57.19 5.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.71 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -55.75 -37.49 47.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.193 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.71 ' N ' HD12 ' A' ' 87' ' ' ILE . 98.9 m -61.96 -40.52 95.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.954 0.407 . . . . 0.0 110.317 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.83 -31.25 69.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.631 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -45.77 52.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.145 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.8 t -55.94 -43.67 77.65 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.089 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.86 -25.45 58.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.966 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.663 ' HB3' HD11 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.37 -41.35 93.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.089 -179.827 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.525 ' HB3' HD21 ' A' ' 105' ' ' LEU . 1.4 pp -105.49 37.28 2.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.973 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -100.98 71.05 1.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -138.83 -177.88 5.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.24 -33.15 38.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 3.4 m -77.67 138.13 62.65 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.6 111.03 2.23 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.485 2.124 . . . . 0.0 112.345 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 101' ' ' THR . 26.4 t -85.32 158.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.488 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 0.8 OUTLIER -87.42 153.12 21.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.864 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -52.35 16.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -59.65 -27.88 66.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.068 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.66 -44.13 76.94 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.954 -0.387 . . . . 0.0 109.954 179.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.742 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.2 mm? -65.96 -32.81 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.141 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.25 -30.11 68.17 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.22 178.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -61.97 -48.25 81.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.996 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.609 HE22 HD21 ' A' ' 93' ' ' LEU . 8.5 mt-30 -69.79 -33.23 72.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 105' ' ' LEU . 21.4 t -81.89 -19.54 10.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.413 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.18 44.08 3.42 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.18 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.485 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 50.8 mtm -140.82 178.75 7.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.785 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.1 m -92.72 162.12 30.07 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.685 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.58 -16.66 24.99 Favored 'Trans proline' 0 C--N 1.343 0.244 0 C-N-CA 122.652 2.235 . . . . 0.0 112.62 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -74.02 -39.44 63.58 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.857 0.361 . . . . 0.0 110.977 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.442 ' HB3' ' HE1' ' A' ' 111' ' ' MET . 0.1 OUTLIER -66.51 -47.97 71.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.023 -179.873 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.1 tp -60.57 -47.27 86.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.083 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.83 -52.82 64.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.012 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -57.87 -46.97 84.07 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.139 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.451 HD11 ' HG2' ' A' ' 83' ' ' ARG . 0.8 OUTLIER -61.36 -44.27 97.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.003 -179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.36 -35.39 73.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.97 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -30.49 52.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.847 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.11 -24.14 58.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.28 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.468 HG21 ' HG ' ' A' ' 84' ' ' LEU . 1.8 m -101.8 -60.81 1.47 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.085 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.782 HG21 ' HE1' ' A' ' 131' ' ' TRP . 0.2 OUTLIER -85.05 -43.28 14.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.115 -179.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 80.01 41.32 12.46 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.426 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 36.3 mtp -148.52 165.24 31.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.819 0.342 . . . . 0.0 110.767 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.92 163.86 16.05 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.26 -37.51 70.66 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.537 2.158 . . . . 0.0 112.343 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.64 -47.26 76.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.905 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -65.42 -40.69 93.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.045 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.782 ' HE1' HG21 ' A' ' 124' ' ' THR . 0.0 OUTLIER -70.32 -46.28 64.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.77 -40.62 93.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.965 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -72.96 -23.9 60.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.5 -48.48 80.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.323 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . 0.416 ' CE3' ' HA ' ' A' ' 136' ' ' ARG . 28.2 p-90 -74.38 -36.38 63.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.416 ' HA ' ' CE3' ' A' ' 135' ' ' TRP . 10.3 ttp180 -64.91 -52.93 53.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.039 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -59.48 -34.72 72.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.239 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -35.72 60.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -73.2 -29.93 63.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.963 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 59.3 mt -83.74 -32.58 25.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.66 -35.48 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.04 -31.21 58.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.955 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.55 143.91 38.01 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.9 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 2.0 mt -78.47 96.06 5.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -70.31 139.28 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.075 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 17.3 ttmt . . . . . 0 C--O 1.25 1.086 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.886 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.788 0.328 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.9 mttm -151.31 138.93 19.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -82.51 155.87 24.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.804 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.631 ' O ' HG23 ' A' ' 5' ' ' THR . . . -74.59 100.22 3.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.014 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.631 HG23 ' O ' ' A' ' 4' ' ' ALA . 0.7 OUTLIER -167.91 133.74 1.97 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.827 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.611 ' O ' HG23 ' A' ' 8' ' ' THR . 0.1 OUTLIER -127.65 -42.43 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.993 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.421 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 63.22 29.68 15.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.969 0.414 . . . . 0.0 110.576 -179.568 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.611 HG23 ' O ' ' A' ' 6' ' ' CYS . 1.3 p -136.36 176.39 8.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.889 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -52.14 -23.61 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.584 -179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -71.02 -44.4 65.93 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.653 0.263 . . . . 0.0 111.295 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.433 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 1.8 tp-100 -74.83 -49.02 22.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.927 0.394 . . . . 0.0 111.1 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.47 ' HA ' ' CE1' ' A' ' 27' ' ' PHE . 1.4 mpt_? -52.71 -52.72 54.94 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.237 -179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.782 ' O ' HD23 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -67.09 -23.7 65.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.976 179.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.82 -33.61 74.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.597 -179.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.54 -47.3 33.65 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.839 0.352 . . . . 0.0 110.853 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.715 HG13 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -67.16 -34.05 66.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.005 179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.782 HD23 ' O ' ' A' ' 13' ' ' TRP . 3.2 mm? -64.79 -45.03 88.03 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.913 0.387 . . . . 0.0 110.186 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -72.89 -27.63 62.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.635 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.406 ' HG2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER 64.43 27.45 13.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.1 179.792 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -57.36 108.35 1.22 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.659 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.69 -11.99 34.1 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.208 1.938 . . . . 0.0 112.352 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -96.43 31.31 2.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.56 179.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.897 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -96.51 26.11 4.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.222 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -55.45 91.67 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.44 179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 126.33 -1.18 7.63 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.375 -179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.897 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.0 mm-40 -60.92 -86.93 0.01 OUTLIER 'General case' 0 CA--C 1.522 -0.118 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' CE1' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -171.6 142.28 1.58 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.117 0.484 . . . . 0.0 111.265 179.437 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.81 HG13 ' O ' ' A' ' 38' ' ' SMC . 58.2 t -89.56 131.59 36.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.125 179.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.715 ' CZ ' HG13 ' A' ' 16' ' ' VAL . 27.6 m-85 -96.9 116.48 29.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.308 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.875 ' HB3' ' HB3' ' A' ' 53' ' ' SER . . . -88.52 128.78 35.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.868 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.4 t -103.62 124.52 57.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.635 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.72 -36.03 20.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.041 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 14.5 p -58.83 -32.91 69.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.454 ' HB ' HG12 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -113.47 -34.64 5.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.84 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 91.21 32.92 8.45 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.444 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.65 HG22 ' CB ' ' A' ' 67' ' ' ARG . 1.0 OUTLIER -116.83 178.87 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-O 121.147 0.498 . . . . 0.0 111.808 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 28.7 p90 -147.99 126.1 12.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.768 179.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.81 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 2.3 mpt_? -43.4 168.44 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.875 178.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 81.9 Cg_exo -42.43 -45.59 8.0 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.541 2.161 . . . . 0.0 113.423 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.628 ' OG ' ' HB3' ' A' ' 23' ' ' ALA . 49.2 m -79.02 -115.76 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.627 0 O-C-N 123.496 0.497 . . . . 0.0 111.703 -179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.511 ' O ' HG12 ' A' ' 16' ' ' VAL . 5.2 t 69.97 159.12 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 121.123 0.487 . . . . 0.0 111.657 -179.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' CG ' ' HG2' ' A' ' 19' ' ' ARG . 1.2 ppt_? -163.46 31.84 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.607 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -87.67 106.54 18.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.245 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 29.1 mtt180 -59.57 98.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.379 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.52 ' O ' ' HB2' ' A' ' 47' ' ' ALA . 23.8 t60 -144.18 37.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.951 -179.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' CB ' HG22 ' A' ' 52' ' ' VAL . . . 170.84 124.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.916 179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.542 ' O ' HG23 ' A' ' 52' ' ' VAL . 15.5 mt -58.13 -177.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.986 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.52 47.37 1.47 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.069 0.461 . . . . 0.0 110.565 179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 55.4 mt-10 -156.39 -40.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.577 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 88.0 m-20 -94.02 43.0 1.1 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.948 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 48' ' ' LEU . 25.8 t -131.15 135.04 60.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.875 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -107.58 166.16 10.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.713 179.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.411 ' CE1' ' HG2' ' A' ' 12' ' ' ARG . 49.9 m-85 -116.63 151.8 35.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.956 0.408 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.709 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 18.9 m-85 -155.4 161.48 41.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.663 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.54 -43.9 8.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.208 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -141.3 -177.32 5.07 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.771 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.8 -42.88 57.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.427 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -56.92 -31.01 64.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.239 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -75.38 -52.12 11.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.266 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.709 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -72.08 -33.69 68.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.373 -179.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 62' ' ' LEU . 6.4 tt -67.85 -44.97 75.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.867 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.05 -38.03 78.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.046 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.24 -19.59 64.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.156 179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.53 58.53 0.52 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.268 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -139.38 143.5 37.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.78 0.324 . . . . 0.0 111.113 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.65 ' CB ' HG22 ' A' ' 36' ' ' ILE . 33.3 mtm180 -79.36 147.99 69.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.279 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 87.0 Cg_endo -82.74 142.02 11.17 Favored 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 122.491 2.127 . . . . 0.0 113.562 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.421 ' O ' ' HD3' ' A' ' 39' ' ' ARG . 48.8 t -122.77 113.69 19.52 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.062 178.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -85.9 -159.96 0.5 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.853 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 69.84 11.84 7.85 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.876 -179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.426 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 0.7 OUTLIER -133.88 33.75 3.42 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.051 0.453 . . . . 0.0 110.693 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 64.71 103.45 0.03 OUTLIER Pre-proline 0 C--N 1.332 -0.175 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.504 179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HA ' ' CG ' ' A' ' 39' ' ' ARG . 53.5 Cg_endo -69.27 170.65 15.51 Favored 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 122.598 2.198 . . . . 0.0 112.457 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -109.56 -35.55 6.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -156.84 87.0 0.99 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -124.23 145.87 49.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.074 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -172.96 87.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.79 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -100.63 128.42 46.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.118 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 1.6 tp-100 60.07 94.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -141.66 96.59 3.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.807 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -97.91 35.65 1.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.449 ' HA ' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -66.03 -30.43 70.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -76.45 -34.8 58.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.803 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -76.01 -32.45 59.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.821 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.495 ' HD3' HG23 ' A' ' 109' ' ' VAL . 4.5 ttmm -68.6 -53.84 20.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.787 HD13 HG21 ' A' ' 123' ' ' THR . 2.6 pp -57.77 -32.92 44.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.992 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.428 ' N ' HD12 ' A' ' 87' ' ' ILE . 88.4 m -61.95 -39.44 92.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.245 179.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 19.6 m80 -69.78 -31.57 69.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.514 179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.636 ' CB ' HD11 ' A' ' 105' ' ' LEU . . . -73.53 -46.11 49.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.0 t -56.11 -39.87 72.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.992 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.38 -30.14 60.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.564 ' HB3' HD21 ' A' ' 105' ' ' LEU . 0.1 OUTLIER -71.3 -36.43 71.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.697 HD12 HD23 ' A' ' 105' ' ' LEU . 0.2 OUTLIER -97.55 36.99 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.983 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -128.39 84.77 2.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.853 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -153.22 170.96 19.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.852 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.61 -31.28 61.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.84 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.415 HG23 ' HD2' ' A' ' 99' ' ' PRO . 40.5 m -78.89 138.76 57.38 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.814 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.415 ' HD2' HG23 ' A' ' 98' ' ' THR . 51.5 Cg_endo -69.11 142.36 50.58 Favored 'Trans proline' 0 C--N 1.347 0.467 0 C-N-CA 122.498 2.132 . . . . 0.0 112.29 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.457 HG21 ' HG ' ' A' ' 94' ' ' LEU . 5.7 m -133.25 152.95 36.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.184 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 39.9 p -86.73 151.21 23.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.892 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tt -62.05 -44.9 95.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.983 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.479 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 1.1 pt-20 -58.85 -27.97 65.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.069 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.75 -48.8 74.64 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.737 HD12 HD11 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -62.12 -30.78 71.26 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.039 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.537 ' HA ' HG12 ' A' ' 109' ' ' VAL . . . -70.74 -26.72 63.5 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.26 -0.882 . . . . 0.0 110.343 178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.0 t0 -72.01 -36.1 69.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.165 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -80.28 -37.01 33.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.258 -179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 111' ' ' MET . 15.0 p -81.71 -20.88 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.389 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 65.4 38.04 5.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.204 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.544 ' HG3' HG22 ' A' ' 109' ' ' VAL . 37.8 mtm -143.97 153.67 42.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.806 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.9 m -63.72 162.86 24.8 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.679 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.45 -15.68 31.44 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.6 2.2 . . . . 0.0 112.613 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -73.9 -38.25 64.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.825 0.345 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -70.94 -46.93 61.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.924 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.737 HD11 HD12 ' A' ' 105' ' ' LEU . 1.6 tp -61.83 -49.99 74.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.027 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.5 t-80 -57.97 -52.39 65.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.044 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 13.9 mtt85 -56.0 -47.1 78.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.262 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.703 HD23 HG23 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -69.31 -40.8 77.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 -179.843 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.72 -31.06 70.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -80.74 -41.4 23.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.887 0.375 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -62.21 -23.83 66.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.338 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 124' ' ' THR . 9.0 t -95.0 -47.46 6.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.165 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.83 HG23 HG23 ' A' ' 123' ' ' THR . 15.7 p -94.98 -56.36 2.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.992 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 111.59 -28.07 9.89 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.425 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 3.6 mtm -100.45 136.68 39.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' A' ' 128' ' ' PRO . 2.1 t -58.99 156.06 28.62 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.675 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . 0.445 ' HD2' ' OG1' ' A' ' 127' ' ' THR . 52.3 Cg_exo -56.07 -35.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.462 2.108 . . . . 0.0 112.17 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 5.3 ttpt -62.06 -30.42 70.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.94 -31.06 64.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.048 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -48.62 78.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.858 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -64.42 -38.69 91.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.895 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -73.83 -41.5 62.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.81 -35.46 80.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.017 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 7.1 t90 -66.39 -46.34 76.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.941 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 7.1 ttt180 -63.74 -35.99 82.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -63.83 -31.49 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -73.4 -33.11 64.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.833 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.17 -31.66 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.5 -36.3 24.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -60.1 -39.9 87.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.952 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -97.87 -55.05 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 67.59 -70.97 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.968 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 58.13 98.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.939 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -96.48 118.16 32.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 27.1 mmmt . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.262 -0.875 . . . . 0.0 110.875 179.947 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ttt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.791 0.329 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.35 91.84 0.05 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.871 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.28 92.71 4.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -112.31 117.94 33.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.534 HG23 ' H ' ' A' ' 6' ' ' CYS . 0.6 OUTLIER -77.97 -63.17 1.45 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.351 -179.76 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.602 ' C ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 178.63 -62.28 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.73 0.3 . . . . 0.0 111.099 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.602 HD22 ' C ' ' A' ' 6' ' ' CYS . 0.3 OUTLIER 73.37 1.5 4.0 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.849 -179.878 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.849 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.51 168.99 25.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.96 0.41 . . . . 0.0 110.796 179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -72.08 -36.73 69.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.726 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -44.16 65.06 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.9 0.333 . . . . 0.0 111.9 -179.062 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.849 ' HB2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -68.92 -36.25 77.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.653 0.263 . . . . 0.0 111.332 -179.464 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.531 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.7 ptp180 -71.49 -45.26 62.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.872 0.368 . . . . 0.0 110.792 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.407 ' N ' ' HG3' ' A' ' 12' ' ' ARG . 2.4 t-105 -57.99 -26.78 62.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.29 -54.81 42.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.013 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -54.87 -40.86 70.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.73 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.839 HG22 ' CE1' ' A' ' 29' ' ' PHE . 12.3 t -61.29 -43.51 96.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.519 179.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 73.7 mt -72.06 -33.5 68.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.512 179.44 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -70.27 -30.35 67.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.715 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.6 mtp180 64.39 31.63 12.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -61.33 109.29 2.02 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.723 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -64.86 -16.08 53.57 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.351 2.034 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.35 33.96 2.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.922 0.391 . . . . 0.0 110.712 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.861 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -94.43 25.44 3.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p30 -54.43 93.99 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.99 0.424 . . . . 0.0 110.499 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.66 -0.41 10.14 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.241 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.861 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 21.3 mm-40 -66.47 -88.26 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.489 0.185 . . . . 0.0 110.765 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.3 OUTLIER -169.91 147.97 3.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.941 0.4 . . . . 0.0 110.934 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.46 ' CG2' ' HB2' ' A' ' 55' ' ' TYR . 33.1 m -93.14 139.08 18.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.703 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.839 ' CE1' HG22 ' A' ' 16' ' ' VAL . 1.7 m-85 -90.85 113.85 26.13 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.354 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.13 124.17 33.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.069 0.461 . . . . 0.0 111.089 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.4 t -99.35 119.97 48.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.458 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -82.59 -26.46 32.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.867 0.365 . . . . 0.0 111.011 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 10.5 p -73.3 -33.28 65.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.051 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.424 ' OG1' HG11 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -111.12 -25.25 9.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.111 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.62 38.64 23.77 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.24 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.67 HG22 ' CB ' ' A' ' 67' ' ' ARG . 0.7 OUTLIER -127.42 154.2 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.989 0.423 . . . . 0.0 111.893 -179.847 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.632 ' CE1' ' HB1' ' A' ' 58' ' ' ALA . 29.6 p90 -122.38 123.47 41.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.33 179.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.445 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.615 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 9.7 mmm180 -46.78 169.75 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.474 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.615 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 85.7 Cg_exo -43.81 -48.45 9.0 Favored 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.398 2.065 . . . . 0.0 113.3 -179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.424 ' O ' ' CZ ' ' A' ' 29' ' ' PHE . 31.3 t -79.14 -114.55 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.493 0.495 . . . . 0.0 111.916 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' CA ' ' HB2' ' A' ' 72' ' ' CYS . 5.5 t 69.55 154.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.973 0.415 . . . . 0.0 111.215 -179.417 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -151.78 25.22 0.66 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.34 122.55 24.61 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 4.5 mmt180 -59.48 99.16 0.05 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -157.5 140.05 14.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.58 ' HB1' ' HB ' ' A' ' 52' ' ' VAL . . . 65.41 115.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.291 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 10.3 mt -78.07 -172.07 2.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.48 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -77.41 57.21 1.48 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.988 0.423 . . . . 0.0 110.624 179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -177.5 -37.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.577 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -96.67 26.66 4.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.956 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.58 ' HB ' ' HB1' ' A' ' 47' ' ' ALA . 12.6 p -130.74 157.25 43.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.216 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -129.83 127.89 41.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.58 179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.43 ' CE1' ' NH1' ' A' ' 12' ' ' ARG . 52.3 p90 -91.17 124.02 35.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.961 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.719 ' CD2' ' HB2' ' A' ' 61' ' ' ALA . 15.2 m-85 -125.5 139.25 53.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.768 179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.18 -43.1 99.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.467 -179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -135.47 170.31 16.15 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.751 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.632 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -70.74 -33.97 71.38 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.085 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 9.6 t -60.63 -30.18 69.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.008 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -74.75 -52.29 11.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.993 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.719 ' HB2' ' CD2' ' A' ' 55' ' ' TYR . . . -72.07 -35.57 69.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.543 HD23 ' C ' ' A' ' 62' ' ' LEU . 7.8 tt -65.36 -44.62 87.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.838 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.0 -38.91 80.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -59.12 -21.96 60.11 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.091 179.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.91 46.68 0.81 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.365 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.638 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.0 m-85 -121.75 136.68 54.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.78 0.324 . . . . 0.0 110.929 -179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.67 ' CB ' HG22 ' A' ' 36' ' ' ILE . 7.2 mtt-85 -79.36 136.18 56.77 Favored Pre-proline 0 C--N 1.332 -0.195 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.467 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.458 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 58.2 Cg_endo -72.29 147.58 47.73 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.399 2.066 . . . . 0.0 113.54 -179.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 14.4 t -122.2 114.46 20.88 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.937 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.94 -167.91 2.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.896 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.89 10.54 3.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.395 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.418 ' HB2' ' CA ' ' A' ' 42' ' ' CYS . 1.6 p -129.56 26.63 5.33 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.776 0.322 . . . . 0.0 111.064 179.538 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 57.64 109.59 0.02 OUTLIER Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.243 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -69.94 -167.86 0.25 Allowed 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.42 2.08 . . . . 0.0 112.283 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -79.05 -33.73 44.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.02 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 25.5 mttt -106.7 94.48 5.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -158.01 90.02 1.04 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.136 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -111.62 102.78 11.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.889 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.03 -42.42 32.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 18.1 mt-30 -124.2 115.69 21.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -150.7 135.37 17.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -100.98 31.42 3.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.447 ' HB3' HD13 ' A' ' 119' ' ' LEU . 12.0 mtp-105 -71.88 -48.42 45.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.796 ' O ' HD23 ' A' ' 84' ' ' LEU . 4.8 tt -76.76 -27.45 55.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.954 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -70.89 -32.51 69.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -71.27 -55.17 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.741 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.91 -36.86 51.53 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.091 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.741 ' N ' HD12 ' A' ' 87' ' ' ILE . 85.0 m -61.98 -40.05 94.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.256 179.681 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.79 -32.03 70.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.568 179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.473 ' HB1' HD23 ' A' ' 105' ' ' LEU . . . -72.22 -44.95 62.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.073 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.6 t -56.0 -39.71 72.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.823 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.31 -39.11 59.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.571 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.82 -27.1 68.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.744 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.658 HD23 ' O ' ' A' ' 94' ' ' LEU . 1.4 tt -95.76 39.84 1.13 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -95.73 37.33 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.985 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -90.82 167.98 12.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -88.63 -30.92 18.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.16 166.52 16.09 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.885 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 47.6 Cg_endo -68.58 131.67 23.51 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.639 2.226 . . . . 0.0 112.319 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG21 ' HG ' ' A' ' 94' ' ' LEU . 21.5 t -101.73 154.43 4.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -77.15 145.94 37.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.914 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.595 HD22 ' HB3' ' A' ' 113' ' ' PRO . 0.6 OUTLIER -72.32 -46.48 55.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.422 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.2 pm0 -57.52 -27.92 63.0 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.121 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.76 -46.94 77.76 Favored 'General case' 0 C--O 1.232 0.14 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 179.667 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.696 ' O ' HG23 ' A' ' 109' ' ' VAL . 4.8 mp -63.75 -30.78 71.83 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 178.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.62 -26.18 62.46 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.41 178.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.39 -47.99 65.88 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.175 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.1 pt20 -76.16 -31.29 58.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.33 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 105' ' ' LEU . 39.6 t -85.07 -22.1 7.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.379 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 62.63 27.51 16.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.27 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.411 ' HG3' HG12 ' A' ' 109' ' ' VAL . 61.1 mtm -135.29 -174.43 3.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.872 179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 5.8 m -85.86 155.08 58.65 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.486 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.595 ' HB3' HD22 ' A' ' 102' ' ' LEU . 50.5 Cg_exo -55.33 -18.68 19.48 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.465 2.11 . . . . 0.0 112.525 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -74.17 -39.98 62.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.876 0.37 . . . . 0.0 111.21 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.79 -51.17 70.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.076 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.635 ' CD1' HG21 ' A' ' 109' ' ' VAL . 0.7 OUTLIER -62.2 -35.29 78.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.312 -179.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.49 -36.01 58.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.366 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -58.53 -47.47 84.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.691 ' HB2' HG21 ' A' ' 87' ' ' ILE . 12.0 mt -73.11 -44.72 59.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.986 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.765 ' CE1' HG21 ' A' ' 124' ' ' THR . 14.3 t80 -56.05 -37.66 69.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -38.38 83.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.68 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.22 -28.4 59.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.029 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.471 HG21 HD11 ' A' ' 87' ' ' ILE . 94.8 m -88.98 -63.75 1.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.765 HG21 ' CE1' ' A' ' 120' ' ' PHE . 42.9 p -84.21 -49.15 9.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.09 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 73.79 33.16 58.22 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.375 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.463 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 10.6 mmm -136.52 152.0 50.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 0.0 110.847 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.31 165.61 32.66 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_endo -63.24 -27.6 72.35 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.501 2.134 . . . . 0.0 112.221 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.07 -31.71 58.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.463 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -74.23 -46.29 42.63 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.138 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . 0.416 ' HA ' ' CE3' ' A' ' 131' ' ' TRP . 0.3 OUTLIER -60.32 -43.7 96.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.858 179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -66.95 -43.97 81.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.825 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 11.1 mt-30 -69.51 -32.72 71.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.771 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.4 -32.55 66.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -48.06 31.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -30.84 69.83 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.938 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -74.65 -37.54 62.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.158 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 ttp180 -75.79 -33.57 60.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.06 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.827 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.44 -31.9 42.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.819 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 9.0 tpp180 -76.27 -29.88 57.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.76 45.17 1.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.8 m -98.31 34.22 2.03 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 59.86 90.54 0.06 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.862 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -91.21 153.1 20.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.109 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttm . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.818 0.342 . . . . 0.0 111.194 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 mtpt -168.96 175.23 5.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.68 129.66 41.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -110.43 106.02 15.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 68.6 p -157.25 147.41 20.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.823 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 17.1 m -60.0 -178.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.973 0.416 . . . . 0.0 110.938 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.475 HD12 ' HG2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -61.47 -23.17 65.7 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.236 179.428 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.608 HG23 ' H ' ' A' ' 11' ' ' GLN . 0.4 OUTLIER -158.34 167.7 29.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.605 -179.66 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.406 ' O ' ' HG2' ' A' ' 12' ' ' ARG . 1.8 m-20 -71.94 -33.03 67.91 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.98 0.419 . . . . 0.0 110.771 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.16 -40.3 68.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.396 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.608 ' H ' HG23 ' A' ' 8' ' ' THR . 8.0 tp60 -59.44 -49.39 77.98 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.581 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 2.1 ptt180 -63.03 -43.01 99.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.921 0.391 . . . . 0.0 110.674 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 52' ' ' VAL . 2.0 t-105 -61.04 -20.08 62.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.692 179.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.85 -51.02 60.51 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.066 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.16 -38.1 78.92 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.958 0.409 . . . . 0.0 110.678 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.879 HG22 ' CE1' ' A' ' 29' ' ' PHE . 23.0 t -65.19 -49.43 79.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.747 179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 89.0 mt -68.85 -40.86 79.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.368 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.0 -30.15 70.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.662 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 43' ' ' ARG . 81.6 mtm180 62.64 35.12 14.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.149 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -61.3 108.62 1.6 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.769 179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_exo -61.97 -21.05 71.58 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.402 2.068 . . . . 0.0 112.261 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.4 m-20 -96.58 36.13 1.41 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.705 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 26' ' ' GLU . . . -93.85 22.57 5.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.181 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -56.07 91.37 0.01 OUTLIER 'General case' 0 C--N 1.334 -0.068 0 CA-C-O 121.024 0.44 . . . . 0.0 110.226 179.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.409 ' H ' ' CB ' ' A' ' 40' ' ' PRO . . . 126.71 -3.2 7.53 Favored Glycine 0 N--CA 1.448 -0.501 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.008 -178.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.67 ' CG ' ' HB1' ' A' ' 23' ' ' ALA . 10.3 mm-40 -65.37 -87.92 0.01 OUTLIER 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.464 0.173 . . . . 0.0 110.625 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.8 OUTLIER -172.92 143.61 1.21 Allowed 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 120.553 -0.459 . . . . 0.0 111.023 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 55' ' ' TYR . 33.8 m -90.04 132.64 34.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.879 ' CE1' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -90.73 119.34 30.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.552 -179.664 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.886 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.29 126.91 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.979 0.419 . . . . 0.0 111.226 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.723 HG23 ' O ' ' A' ' 36' ' ' ILE . 2.9 t -98.93 102.95 14.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.795 -0.639 . . . . 0.0 110.682 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.97 -33.2 71.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.141 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.418 ' OG1' HG12 ' A' ' 31' ' ' VAL . 49.2 p -63.77 -77.34 0.06 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.168 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.403 ' N ' ' OG1' ' A' ' 33' ' ' THR . 0.4 OUTLIER -68.29 -22.04 64.75 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.127 179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.96 38.42 26.79 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.176 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.723 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.6 OUTLIER -128.06 151.0 34.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 0.0 111.709 -179.83 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.466 ' CZ ' ' HB1' ' A' ' 58' ' ' ALA . 10.9 p90 -118.57 129.3 55.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.233 178.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.469 ' O ' ' HA ' ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.671 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 23.8 mmt180 -46.28 171.8 0.06 OUTLIER Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.66 178.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.671 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 70.1 Cg_exo -42.95 -54.16 3.54 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.481 2.121 . . . . 0.0 113.646 -179.098 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 89.5 p -79.37 -112.59 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.594 0 O-C-N 123.662 0.601 . . . . 0.0 111.957 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.485 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 10.3 t 77.21 148.73 0.1 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 122.961 0.505 . . . . 0.0 111.394 -179.521 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.481 ' HB3' ' HB3' ' A' ' 19' ' ' ARG . 0.0 OUTLIER -140.53 27.78 2.05 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.932 -179.669 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -89.17 113.7 24.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.168 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.1 ttm180 -58.39 99.19 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.736 179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -148.48 143.16 26.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.567 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 63.09 125.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.217 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.6 mt -78.57 -172.27 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.671 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.8 57.11 2.46 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.115 0.484 . . . . 0.0 110.713 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -174.41 -39.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.773 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -97.17 32.6 2.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 13' ' ' TRP . 11.9 p -136.63 133.88 48.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.178 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.886 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.5 OUTLIER -107.48 170.9 7.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 179.919 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -128.5 137.82 51.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.562 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.4 m-85 -139.89 139.24 36.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.803 ' HB2' ' HB1' ' A' ' 4' ' ' ALA . . . -56.25 -43.94 79.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.814 -179.578 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -140.73 -179.72 6.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.785 0.326 . . . . 0.0 110.97 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.466 ' HB1' ' CZ ' ' A' ' 37' ' ' PHE . . . -71.89 -41.88 67.44 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.66 -179.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.17 -42.88 70.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.42 -179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' HB3' ' CD1' ' A' ' 55' ' ' TYR . 5.7 mm-40 -64.11 -52.25 60.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.276 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.449 ' HB2' ' CB ' ' A' ' 55' ' ' TYR . . . -67.93 -37.5 81.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.0 -179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.9 tt -64.15 -49.95 70.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.66 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -59.16 -24.87 63.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.108 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -80.6 3.17 22.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.645 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 88.61 64.09 1.33 Allowed Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -149.86 133.29 16.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.875 0.369 . . . . 0.0 111.054 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.676 ' CB ' HG22 ' A' ' 36' ' ' ILE . 27.3 mtt180 -79.34 137.01 56.12 Favored Pre-proline 0 C--N 1.331 -0.203 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.245 179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 74.3 Cg_endo -75.89 144.58 27.58 Favored 'Trans proline' 0 C--N 1.343 0.251 0 C-N-CA 122.387 2.058 . . . . 0.0 113.708 -178.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.417 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 16.0 t -115.14 116.39 28.3 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.717 178.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 1.7 tptt -83.3 -162.86 0.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.992 -179.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 2.9 mtp180 70.13 11.93 7.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.235 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 3.3 p -137.84 38.27 2.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 57.46 95.78 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.254 179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -76.63 -174.48 2.15 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.518 2.145 . . . . 0.0 112.393 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -98.5 30.61 3.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.73 -56.35 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.813 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -86.86 173.03 9.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -115.51 139.76 49.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.4 119.96 11.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.11 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.88 86.93 0.1 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -163.57 158.07 20.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 m170 -127.21 28.58 5.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.945 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.607 ' HG2' HD21 ' A' ' 119' ' ' LEU . 0.0 OUTLIER -74.09 -42.43 60.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.945 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.698 ' O ' HD23 ' A' ' 84' ' ' LEU . 2.4 tt -80.85 -29.75 35.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.42 -33.54 71.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.519 ' HE3' HG13 ' A' ' 109' ' ' VAL . 11.0 mmmt -72.17 -54.12 10.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.037 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.753 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -57.31 -36.1 51.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.068 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.753 ' N ' HD12 ' A' ' 87' ' ' ILE . 97.4 m -61.92 -39.87 93.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.997 0.427 . . . . 0.0 110.404 179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 13.8 t60 -69.71 -32.06 70.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.589 179.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.53 ' HB1' HD21 ' A' ' 116' ' ' LEU . . . -73.55 -44.78 56.67 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.06 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 11.6 t -56.16 -45.69 79.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.047 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.4 mmm-85 -75.48 -30.56 59.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.506 HD21 ' NE2' ' A' ' 108' ' ' GLN . 4.1 mt -59.98 -48.45 81.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 13.2 mt -59.58 -54.19 49.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.35 105.39 2.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.817 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 100' ' ' VAL . 10.2 pt20 -164.45 43.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 63.69 -79.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.024 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.74 138.48 90.07 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.788 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -66.42 123.81 11.64 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.476 2.117 . . . . 0.0 112.249 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' HB3' ' A' ' 104' ' ' ALA . 26.3 t -103.57 137.54 31.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 104' ' ' ALA . 82.6 p -69.12 163.53 24.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.38 -52.42 40.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.43 ' O ' ' HB3' ' A' ' 106' ' ' ALA . 2.3 pt-20 -60.99 -27.92 68.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.931 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.542 ' HB2' ' OG1' ' A' ' 101' ' ' THR . . . -55.75 -47.17 77.44 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 110.005 -0.369 . . . . 0.0 110.005 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.77 ' O ' HG23 ' A' ' 109' ' ' VAL . 0.4 OUTLIER -63.85 -31.61 72.85 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.057 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -70.34 -27.93 64.74 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.525 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -64.26 -47.21 80.43 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.506 ' NE2' HD21 ' A' ' 93' ' ' LEU . 1.6 tt0 -75.68 -31.6 59.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.997 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.77 HG23 ' O ' ' A' ' 105' ' ' LEU . 36.3 t -83.49 -19.61 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.463 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 79.26 -55.39 0.43 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.868 0.366 . . . . 0.0 111.37 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.518 ' SD ' HG12 ' A' ' 109' ' ' VAL . 0.3 OUTLIER -58.67 160.73 5.3 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.09 166.72 25.79 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.768 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.94 -13.75 41.35 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.477 2.118 . . . . 0.0 112.521 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -73.95 -39.64 63.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.878 0.37 . . . . 0.0 110.922 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.2 m80 -72.32 -43.5 64.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.978 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.53 HD21 ' HB1' ' A' ' 90' ' ' ALA . 1.8 tt -60.57 -47.8 84.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.962 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.94 -50.09 73.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.043 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.01 -47.15 86.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.016 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.722 HD23 HG23 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -66.13 -35.28 80.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.077 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -74.86 -38.48 61.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -31.09 60.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.987 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.23 -31.68 60.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.147 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -98.59 -56.26 2.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.901 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.2 -49.19 9.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.92 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 75.52 30.81 57.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 17.0 mtp -137.78 130.5 29.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.748 0.308 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 5.2 p -80.96 162.99 57.75 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 60.3 Cg_exo -51.62 -46.31 32.6 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.594 2.196 . . . . 0.0 112.251 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -31.98 73.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.86 -45.21 71.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.034 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 4.4 m95 -72.21 -36.79 69.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.74 -40.14 94.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -34.49 65.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -61.65 -43.22 99.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -72.24 -40.37 67.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.93 -37.88 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -66.32 -33.06 74.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.059 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.29 -33.1 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -73.19 -29.98 63.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.954 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -78.9 -31.28 45.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 3.2 tmm_? -71.58 -50.31 32.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.93 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.41 -30.86 68.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.982 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -52.2 23.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.03 87.52 2.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -97.45 137.46 36.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.094 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.864 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.776 0.322 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 6.3 mtmp? -139.71 141.99 36.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -107.57 107.69 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.903 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.765 ' HB1' ' HB2' ' A' ' 56' ' ' ALA . . . -76.7 140.35 40.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.501 HG22 ' O ' ' A' ' 4' ' ' ALA . 12.6 t 45.71 -167.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.378 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.427 ' C ' HD13 ' A' ' 7' ' ' LEU . 10.2 m -73.68 -177.89 2.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.944 0.402 . . . . 0.0 111.165 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.662 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -89.89 -10.41 45.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.152 179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.675 HG23 ' HB2' ' A' ' 11' ' ' GLN . 0.1 OUTLIER -158.21 156.98 31.75 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.7 -179.851 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 13.7 p-10 -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.434 -179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.91 -43.88 74.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.803 0.335 . . . . 0.0 111.126 -179.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.675 ' HB2' HG23 ' A' ' 8' ' ' THR . 0.0 OUTLIER -63.23 -30.52 71.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.684 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 27' ' ' PHE . 3.3 mpp_? -64.3 -55.68 19.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.598 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.476 ' CH2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -53.02 -26.82 16.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.717 179.644 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.63 -54.9 36.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.149 179.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.53 -32.21 71.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.921 0.391 . . . . 0.0 110.951 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.918 HG13 ' CE2' ' A' ' 29' ' ' PHE . 21.3 t -72.06 -42.28 67.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.233 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -72.15 -31.86 66.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.031 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -76.28 -7.58 55.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.626 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.416 ' CG ' ' HD3' ' A' ' 43' ' ' ARG . 0.0 OUTLIER 43.76 30.63 0.39 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.792 0.33 . . . . 0.0 111.396 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -57.17 108.18 1.16 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.786 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -66.91 -14.08 42.36 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.296 1.997 . . . . 0.0 112.257 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.8 m-80 -96.92 30.08 2.83 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.849 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 41' ' ' SER . . . -95.84 25.45 4.67 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.158 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -56.32 92.74 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.965 0.412 . . . . 0.0 110.441 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 124.48 -0.8 8.76 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 121.014 -0.613 . . . . 0.0 112.253 -179.427 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.499 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -66.08 -86.66 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 116.614 0.207 . . . . 0.0 110.768 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 2.7 p90 -171.94 140.36 1.24 Allowed 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.947 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.738 HG23 ' HB2' ' A' ' 55' ' ' TYR . 9.0 m -89.67 133.52 31.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.674 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.918 ' CE2' HG13 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -91.3 119.28 31.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.782 -179.664 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.871 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.43 131.7 34.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.086 0.47 . . . . 0.0 111.192 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 36' ' ' ILE . 3.1 t -102.4 110.83 30.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.646 -0.707 . . . . 0.0 110.658 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.5 tmt_? -70.13 -26.05 63.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.163 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 24.7 p -70.58 -62.17 1.49 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.13 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -22.02 30.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.205 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.85 38.3 23.79 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.232 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.673 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.7 OUTLIER -127.9 152.92 36.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.876 0.369 . . . . 0.0 111.694 -179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.603 ' HZ ' HD12 ' A' ' 62' ' ' LEU . 5.6 p90 -121.89 120.02 33.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.601 179.32 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.539 ' O ' HG12 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.665 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 34.1 mmt180 -48.14 171.22 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.718 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.665 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 72.1 Cg_exo -42.26 -52.44 4.23 Favored 'Trans proline' 0 C--N 1.349 0.555 0 C-N-CA 122.452 2.101 . . . . 0.0 113.022 -179.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 84.2 p -79.28 -119.47 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.098 179.578 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.2 t 66.87 158.79 0.13 Allowed 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.158 0.504 . . . . 0.0 111.867 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.416 ' HD3' ' CG ' ' A' ' 19' ' ' ARG . 27.8 ttt-85 -166.06 75.84 0.21 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.131 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -118.6 122.1 41.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.223 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.85 99.14 0.6 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.779 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -163.54 34.41 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.71 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.518 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 179.53 111.51 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.925 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.6 mt -65.67 165.23 12.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.721 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -54.22 -24.84 20.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.0 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.74 27.81 9.06 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.918 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -146.14 20.15 1.41 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.129 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.476 HG11 ' CH2' ' A' ' 13' ' ' TRP . 10.8 p -138.64 146.48 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 111.228 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.871 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.2 158.85 19.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.667 179.646 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -118.39 127.39 53.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.096 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.738 ' HB2' HG23 ' A' ' 28' ' ' VAL . 2.5 m-85 -124.85 139.25 54.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.579 179.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.765 ' HB2' ' HB1' ' A' ' 4' ' ' ALA . . . -61.28 -43.72 98.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.696 -179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -133.93 170.9 14.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 -179.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.423 ' HB1' ' HE2' ' A' ' 37' ' ' PHE . . . -74.36 -31.25 62.33 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 91.8 p -68.28 -30.24 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.816 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.34 -50.5 31.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.539 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -67.55 -42.77 82.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.28 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.603 HD12 ' HZ ' ' A' ' 37' ' ' PHE . 5.5 tt -58.48 -46.65 86.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.043 -179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.97 -35.38 73.08 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.191 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -63.66 -21.11 66.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.102 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.8 53.34 0.55 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.365 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.41 ' CE2' ' HB1' ' A' ' 30' ' ' ALA . 6.9 m-85 -134.8 153.31 52.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.766 0.317 . . . . 0.0 110.975 -179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.622 ' CB ' HG22 ' A' ' 36' ' ' ILE . 46.0 mtt180 -95.23 132.84 27.08 Favored Pre-proline 0 CA--C 1.528 0.131 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.605 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.477 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 68.1 Cg_endo -75.32 148.39 34.01 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.258 1.972 . . . . 0.0 113.672 -179.044 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.469 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 15.0 t -117.54 111.21 18.92 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.791 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -84.71 -169.52 2.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.925 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 76.15 11.5 2.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.002 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . . . . . . . . . 6.8 p -135.5 40.25 2.82 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.929 0.395 . . . . 0.0 110.802 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 55.27 94.58 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.338 179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_endo -74.16 -44.2 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.583 2.189 . . . . 0.0 112.335 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -158.2 -66.99 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.951 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 33.6 mttt -148.32 -61.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.869 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 60.65 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.085 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -170.29 147.11 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.846 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -143.86 -66.78 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.038 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -119.29 115.39 24.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.872 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -159.04 31.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -139.61 -55.3 0.57 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mtt180 -63.41 -43.06 98.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.731 ' O ' HD23 ' A' ' 84' ' ' LEU . 3.1 tt -72.96 -29.3 62.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.98 -32.34 71.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.46 -57.01 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.773 HD12 ' N ' ' A' ' 88' ' ' THR . 2.8 pp -56.23 -34.91 40.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.773 ' N ' HD12 ' A' ' 87' ' ' ILE . 94.0 m -62.18 -39.1 91.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.303 179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -69.72 -31.92 70.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.608 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.45 -44.52 57.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.057 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.7 t -56.11 -43.24 77.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.948 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.82 -31.58 61.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.68 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 3.2 tt -68.31 -43.33 77.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.835 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 94' ' ' LEU . 6.7 tt -71.43 -31.41 67.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -71.27 116.61 11.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.768 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -169.77 -178.43 2.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.853 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -80.43 -33.84 36.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.947 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 5.1 m -94.73 142.04 24.18 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -52.31 153.66 12.77 Favored 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.402 2.068 . . . . 0.0 112.257 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.4 t -129.88 137.57 56.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.191 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.8 m -81.39 156.23 25.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.87 -52.41 50.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.957 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -61.48 -27.93 68.93 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.039 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.66 -44.81 77.57 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 109.949 179.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.581 HD22 HD12 ' A' ' 94' ' ' LEU . 1.0 OUTLIER -65.49 -32.87 74.7 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 178.127 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.658 ' HB1' ' O ' ' A' ' 111' ' ' MET . . . -69.31 -27.15 65.13 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.325 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -67.6 -45.66 74.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.136 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 24.0 tm0? -66.77 -37.84 85.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 106' ' ' ALA . 32.8 m -81.92 -18.85 11.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.46 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 109' ' ' VAL . . . 67.97 32.68 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.746 0.308 . . . . 0.0 111.235 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.658 ' O ' ' HB1' ' A' ' 106' ' ' ALA . 1.4 mtp -136.73 158.8 43.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.764 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.05 166.57 9.97 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.752 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_endo -64.86 -13.47 39.62 Favored 'Trans proline' 0 C--N 1.343 0.253 0 C-N-CA 122.545 2.163 . . . . 0.0 112.516 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 87.3 m-85 -73.67 -39.72 64.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.941 0.4 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 111' ' ' MET . 4.3 m80 -72.26 -45.27 60.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.067 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.626 ' O ' HD13 ' A' ' 116' ' ' LEU . 0.3 OUTLIER -60.53 -38.46 84.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.027 -179.87 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -72.98 -37.21 67.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.064 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.21 -47.09 37.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.081 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.678 HD23 HG23 ' A' ' 87' ' ' ILE . 0.3 OUTLIER -63.62 -40.23 96.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.069 -179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -72.21 -49.2 37.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.3 -28.7 69.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.27 -25.81 58.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.328 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.414 HG21 ' CD1' ' A' ' 87' ' ' ILE . 4.4 m -92.49 -66.72 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.129 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -68.95 -54.77 13.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.798 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 108.54 -27.83 12.82 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.669 -0.776 . . . . 0.0 112.538 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . 0.492 ' CE ' ' HB1' ' A' ' 130' ' ' ALA . 0.0 OUTLIER -93.01 -169.32 2.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.854 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.9 p -120.09 159.18 48.26 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.66 -44.98 43.5 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.638 2.225 . . . . 0.0 112.308 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -59.66 -39.77 85.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.492 ' HB1' ' CE ' ' A' ' 126' ' ' MET . . . -60.33 -46.15 90.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.072 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -49.87 75.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -61.5 -40.91 96.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -35.23 72.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -70.53 -40.32 73.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.134 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 16.3 t90 -65.14 -43.26 92.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.977 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.444 ' O ' HD23 ' A' ' 140' ' ' LEU . 12.5 ttm105 -69.15 -35.98 76.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -73.2 -35.79 66.42 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.05 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -31.59 59.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.03 -30.27 66.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.966 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.444 HD23 ' O ' ' A' ' 136' ' ' ARG . 4.2 mm? -87.45 -29.24 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.051 -179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.15 -60.21 2.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.089 -179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -117.63 -28.6 5.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.266 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 7.8 t 70.27 -65.63 0.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 10.1 mt -122.87 128.77 50.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.87 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -98.41 117.47 32.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 20.0 mttt . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.266 -0.873 . . . . 0.0 110.921 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ttt . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.88 0.372 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.3 ttpm? 60.89 37.32 18.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.0 127.3 33.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.806 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -79.91 138.08 37.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 m -130.76 151.83 50.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 8' ' ' THR . 0.3 OUTLIER -158.32 -43.97 0.06 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.12 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 7' ' ' LEU . 0.8 OUTLIER 64.63 31.43 12.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.971 0.415 . . . . 0.0 110.439 -179.519 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 6' ' ' CYS . 3.4 p -138.25 177.93 7.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.966 -179.437 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.75 -26.61 9.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.513 -179.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.54 -44.2 65.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.886 0.374 . . . . 0.0 110.795 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 6' ' ' CYS . 0.0 OUTLIER -71.12 -44.88 64.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.568 ' O ' HG23 ' A' ' 16' ' ' VAL . 1.5 mpt_? -62.45 -56.44 18.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.298 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . 0.443 ' HH2' HG11 ' A' ' 52' ' ' VAL . 0.8 OUTLIER -57.49 -23.14 48.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.359 . . . . 0.0 110.674 179.718 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -65.66 -53.95 34.18 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.291 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.432 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . 2.5 m -59.21 -32.03 69.58 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.672 0.272 . . . . 0.0 111.134 -179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.901 HG13 ' CE2' ' A' ' 29' ' ' PHE . 2.2 t -70.4 -46.32 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.826 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.12 -32.79 74.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.594 179.723 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -71.66 -26.93 62.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.947 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 13.1 mtt180 60.51 28.23 17.9 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -57.3 108.59 1.3 Allowed Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.727 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -60.85 -15.75 40.1 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.48 2.12 . . . . 0.0 112.429 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 58.8 t30 -96.57 31.23 2.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.054 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.83 ' HB1' ' HB2' ' A' ' 26' ' ' GLU . . . -94.97 26.64 3.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.084 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -44.67 -27.9 0.54 Allowed 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.752 0.311 . . . . 0.0 111.6 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -116.47 31.67 5.88 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.527 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.83 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -87.01 -86.97 0.15 Allowed 'General case' 0 C--N 1.331 -0.226 0 O-C-N 122.824 -0.221 . . . . 0.0 111.394 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 12' ' ' ARG . 0.1 OUTLIER -176.32 152.73 1.13 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 121.111 0.481 . . . . 0.0 111.554 -179.172 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.843 HG13 ' O ' ' A' ' 38' ' ' SMC . 42.1 t -93.16 131.81 39.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.761 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.901 ' CE2' HG13 ' A' ' 16' ' ' VAL . 5.2 m-85 -93.71 113.88 26.06 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.95 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.792 ' HB3' ' HB2' ' A' ' 53' ' ' SER . . . -88.49 125.34 34.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.912 0.387 . . . . 0.0 110.961 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.614 HG13 ' HB2' ' A' ' 47' ' ' ALA . 1.5 t -98.3 109.83 24.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.563 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 3.1 tmt_? -71.38 -29.27 64.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.303 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 11.7 p -66.07 -58.59 5.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.023 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.62 -28.16 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.011 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.86 34.72 12.53 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.405 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.758 HG22 ' HB3' ' A' ' 67' ' ' ARG . 1.7 pt -122.54 -179.99 2.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.987 0.422 . . . . 0.0 111.532 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' HB2' HG12 ' A' ' 28' ' ' VAL . 9.0 p90 -148.11 133.97 19.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.063 179.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SMC . . . . . 0.843 ' O ' HG13 ' A' ' 28' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.659 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 16.7 mmt180 -45.65 168.13 0.11 Allowed Pre-proline 0 CA--C 1.533 0.29 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.636 178.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.659 ' HD2' ' HB3' ' A' ' 39' ' ' ARG . 52.7 Cg_exo -39.32 -49.74 2.99 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.882 2.388 . . . . 0.0 113.616 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.5 p -78.76 -122.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.462 0.476 . . . . 0.0 111.464 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.477 ' HA ' ' HB3' ' A' ' 72' ' ' CYS . 6.1 t 81.74 155.99 0.13 Allowed 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.06 0.457 . . . . 0.0 111.269 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.25 28.46 0.2 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.774 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.19 127.53 32.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.125 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 3.9 ttt-85 -63.92 99.08 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.697 179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -157.15 148.36 21.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.614 ' HB2' HG13 ' A' ' 31' ' ' VAL . . . 60.21 111.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.989 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' O ' HG13 ' A' ' 52' ' ' VAL . 5.2 mt -64.68 -175.94 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.869 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.53 57.1 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.052 0.453 . . . . 0.0 110.545 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -167.22 -41.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.586 -179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -96.18 21.76 8.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.824 179.564 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 48' ' ' LEU . 3.0 m -102.09 141.62 18.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.245 -179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.792 ' HB2' ' HB3' ' A' ' 30' ' ' ALA . 3.5 m -119.6 164.36 15.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.71 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.425 ' CE1' ' HB3' ' A' ' 12' ' ' ARG . 43.7 m-85 -121.72 146.33 47.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.048 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.775 ' CG ' ' HB2' ' A' ' 61' ' ' ALA . 10.3 m-85 -148.97 160.8 42.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.632 179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -92.23 -43.86 9.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.139 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.25 177.68 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.815 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' HB1' ' CE1' ' A' ' 37' ' ' PHE . . . -77.22 -41.25 42.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.15 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 85.0 p -57.9 -30.28 65.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.124 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -75.28 -52.1 11.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.126 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.775 ' HB2' ' CG ' ' A' ' 55' ' ' TYR . . . -71.95 -31.52 66.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.327 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.467 ' O ' HD23 ' A' ' 62' ' ' LEU . 7.1 tt -68.56 -45.04 73.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.731 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -58.91 -38.91 80.0 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.107 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -62.29 -24.34 67.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.053 179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 115.85 59.25 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.477 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -143.47 137.1 28.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.772 0.32 . . . . 0.0 110.918 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.758 ' HB3' HG22 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -79.48 138.48 55.2 Favored Pre-proline 0 C--N 1.331 -0.198 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.51 179.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 61.1 Cg_endo -73.91 157.42 47.36 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.549 2.166 . . . . 0.0 113.711 -179.044 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.487 ' HB3' ' HA ' ' A' ' 38' ' ' SMC . 34.7 t -129.27 102.2 6.33 Favored 'General case' 0 C--O 1.238 0.474 0 CA-C-N 115.309 -0.86 . . . . 0.0 109.487 178.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.64 -3.24 58.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.689 -179.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.42 -21.48 9.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.779 0.323 . . . . 0.0 110.662 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' CYS . . . . . 0.477 ' HB3' ' HA ' ' A' ' 42' ' ' CYS . 1.8 p -94.09 21.78 6.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.144 179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 54.78 98.16 0.04 OUTLIER Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.679 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_endo -82.07 82.91 2.18 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.637 2.225 . . . . 0.0 112.256 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -126.17 173.89 8.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.899 0.38 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.4 mttp -120.77 -166.53 1.35 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.774 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.32 155.33 28.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.217 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -136.85 164.2 28.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -176.53 -39.01 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.234 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.23 43.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.969 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 9.9 mm-40 -142.58 150.58 40.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.89 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -131.04 130.95 43.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.624 ' HG2' HD11 ' A' ' 119' ' ' LEU . 49.1 mtt180 -73.01 -37.25 67.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 7.5 tt -73.57 -33.75 64.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.927 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.74 -32.96 74.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.941 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -72.23 -57.2 4.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.121 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.758 HD12 ' N ' ' A' ' 88' ' ' THR . 2.7 pp -56.68 -36.38 48.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.067 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.758 ' N ' HD12 ' A' ' 87' ' ' ILE . 92.2 m -62.12 -40.05 94.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.22 179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.71 -34.93 74.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.521 179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.542 ' HB1' ' CD2' ' A' ' 105' ' ' LEU . . . -69.13 -46.31 67.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 13.2 t -56.71 -40.87 76.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.906 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 ttp180 -75.34 -31.31 60.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.951 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.717 ' O ' HD13 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -68.94 -30.53 69.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.947 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.504 HD23 ' O ' ' A' ' 94' ' ' LEU . 0.5 OUTLIER -97.73 36.59 1.5 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -97.72 83.84 3.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -149.83 157.33 43.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -77.68 -31.05 52.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.409 HG22 ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -88.66 166.51 22.42 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.833 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.409 ' HD2' HG22 ' A' ' 98' ' ' THR . 44.1 Cg_endo -68.19 113.6 3.13 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.538 2.159 . . . . 0.0 112.225 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 21.5 t -88.41 147.63 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.56 HG22 ' HG2' ' A' ' 103' ' ' GLU . 0.3 OUTLIER -67.12 135.12 53.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.821 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 44.5 tp -69.41 -50.43 45.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.56 ' HG2' HG22 ' A' ' 101' ' ' THR . 9.6 pt-20 -58.28 -27.92 64.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.186 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.6 -48.34 75.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.894 0.378 . . . . 0.0 110.021 179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.542 ' CD2' ' HB1' ' A' ' 90' ' ' ALA . 1.0 OUTLIER -62.91 -30.54 71.62 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 178.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' A' ' 103' ' ' GLU . . . -71.74 -25.09 61.92 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.567 178.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -71.98 -37.5 69.86 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.14 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -72.89 -37.47 67.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.199 -179.786 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.554 HG21 HD12 ' A' ' 116' ' ' LEU . 19.9 m -81.73 -16.89 11.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.507 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . 66.44 32.12 7.69 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.757 0.313 . . . . 0.0 111.207 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.628 ' HE2' ' HB3' ' A' ' 115' ' ' HIS . 2.2 mtp -137.68 -175.85 4.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.782 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.1 m -94.13 160.04 32.96 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.608 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.33 -20.21 19.34 Favored 'Trans proline' 0 C--N 1.343 0.278 0 C-N-CA 122.495 2.13 . . . . 0.0 112.528 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.09 -38.49 63.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 111.008 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.628 ' HB3' ' HE2' ' A' ' 111' ' ' MET . 0.0 OUTLIER -70.66 -35.88 73.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.022 -179.856 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 HG21 ' A' ' 109' ' ' VAL . 0.5 OUTLIER -73.35 -41.49 63.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 -179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.84 -53.25 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.03 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ARG . . . . . . . . . . . . . 14.8 mmt-85 -59.82 -43.32 94.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.986 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.624 HD11 ' HG2' ' A' ' 83' ' ' ARG . 2.2 tp -68.52 -35.4 77.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -74.79 -38.46 62.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.8 -30.16 62.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -75.25 -29.24 60.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -99.71 -67.06 0.87 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.997 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -74.9 -43.08 56.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.012 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 71.94 43.52 49.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.561 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' MET . . . . . . . . . . . . . 54.9 mtp -150.28 135.62 18.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.823 0.344 . . . . 0.0 110.902 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 3.9 p -79.99 159.38 71.02 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.65 -27.37 82.77 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.644 2.229 . . . . 0.0 112.142 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.08 -30.86 58.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.803 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.08 70.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -60.34 -40.31 90.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -38.31 90.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.862 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.21 -33.25 61.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.837 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.72 -39.41 64.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.099 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -64.95 -35.39 81.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.83 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.69 -31.59 65.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.9 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . -72.71 -36.28 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.083 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 -75.75 -32.97 60.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -33.72 76.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.96 -39.62 63.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.845 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -62.58 -33.78 75.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -77.26 -30.36 54.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 1.1 m 62.28 177.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.946 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . . . . . . . . . 1.7 mp 60.3 32.99 20.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -80.32 99.35 7.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.098 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_