data_2dkx_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 2dkx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 17' ' ' LEU . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.403 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 79' ' ' LEU . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.1 t60 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 39' ' ' THR . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' ALA . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.454 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 61.1 mm-40 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 45' ' ' LEU . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.418 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 17' ' ' LEU . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' CG ' ' A' ' 82' ' ' HIS . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.513 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.5 mm-40 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 45' ' ' LEU . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 52' ' ' PHE . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.571 ' CG ' HG23 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.456 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.452 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 74.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 17' ' ' LEU . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.463 ' OD1' ' CG2' ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 79' ' ' LEU . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.582 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 41' ' ' HIS . 1.5 t60 -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 39' ' ' THR . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 3.7 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 44.1 mm-40 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.411 ' ND1' HG22 ' A' ' 39' ' ' THR . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' CE3' ' A' ' 38' ' ' TRP . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 79' ' ' LEU . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CE3' HD11 ' A' ' 17' ' ' LEU . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' CD1' ' A' ' 43' ' ' TYR . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 21.6 t60 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD12 ' CG1' ' A' ' 78' ' ' VAL . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.541 ' SD ' ' CD2' ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CD2' HD11 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 45' ' ' LEU . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD2' ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.498 ' CG ' HG22 ' A' ' 39' ' ' THR . 3.4 t60 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 86' ' ' TRP . 76.4 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.9 t60 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 39' ' ' THR . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.486 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' CD2' ' A' ' 43' ' ' TYR . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.445 ' CG ' HG21 ' A' ' 39' ' ' THR . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.454 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 17' ' ' LEU . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.497 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.497 ' OD1' ' CG2' ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 79' ' ' LEU . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 37' ' ' LEU . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.9 t60 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 39' ' ' THR . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CB ' ' HE2' ' A' ' 48' ' ' MET . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.466 ' HE2' ' CB ' ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 36' ' ' LEU . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.518 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.583 HG21 ' CE1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 8.3 t60 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' ALA . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD13 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.402 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.6 t60 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ALA . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 60' ' ' LEU . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 79' ' ' LEU . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.598 HG21 ' CD1' ' A' ' 43' ' ' TYR . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 9.1 t60 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.598 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' ' HE1' ' A' ' 48' ' ' MET . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.475 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 55' ' ' LEU . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD2' HG11 ' A' ' 32' ' ' VAL . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 8.1 mm-40 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.403 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.497 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 17' ' ' LEU . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.589 HG21 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.426 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.324 . . . . 0.0 111.083 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 15.7 t60 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 39' ' ' THR . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HD2' ' NE2' ' A' ' 53' ' ' GLN . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HD2' ' A' ' 50' ' ' LYS . 7.6 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.426 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' SER . 78.1 mm-40 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 45' ' ' LEU . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.442 ' ND1' HG23 ' A' ' 39' ' ' THR . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.416 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 79' ' ' LEU . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 39' ' ' THR . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CZ ' ' CD ' ' A' ' 71' ' ' ARG . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 52' ' ' PHE . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.45 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.572 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 36' ' ' LEU . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.422 ' ND1' HG23 ' A' ' 39' ' ' THR . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.462 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 79' ' ' LEU . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 1.7 t60 -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ALA . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.644 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.644 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.546 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.534 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 36' ' ' LEU . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.0 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 79' ' ' LEU . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.3 t60 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CD1' ' CG2' ' A' ' 39' ' ' THR . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.417 ' O ' ' SD ' ' A' ' 48' ' ' MET . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.46 ' HE2' ' CB ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' GLU . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.41 HG11 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 36' ' ' LEU . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' CD1' ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 79' ' ' LEU . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 7.4 t60 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CE1' HG22 ' A' ' 39' ' ' THR . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 45' ' ' LEU . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 52' ' ' PHE . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.469 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.584 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.418 ' CD2' HD21 ' A' ' 79' ' ' LEU . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' CD1' ' A' ' 43' ' ' TYR . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 30.9 t60 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 39' ' ' THR . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 8.2 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.427 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.0 t60 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.529 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.518 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' CD1' ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.414 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.549 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 82.7 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 39' ' ' THR . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CB ' ' HE2' ' A' ' 48' ' ' MET . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.506 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.548 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 36' ' ' LEU . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 17' ' ' LEU . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.585 HG22 ' CD1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.9 t60 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.585 ' CD1' HG22 ' A' ' 39' ' ' THR . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ALA . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.512 ' O ' ' CE ' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.418 ' CG2' ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 79' ' ' LEU . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 5.1 t60 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.579 ' CD1' HG23 ' A' ' 39' ' ' THR . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' ALA . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CZ ' ' CD ' ' A' ' 71' ' ' ARG . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.503 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 55' ' ' LEU . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 36' ' ' LEU . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . 0.491 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.404 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -82.11 -58.27 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -70.81 146.07 49.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.3 -120.26 2.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -94.09 151.26 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -44.72 159.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.07 -63.8 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.3 pp -72.86 -15.04 61.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -45.35 -33.53 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.58 -26.08 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.6 mt -62.19 -52.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.423 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 17' ' ' LEU . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.403 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.454 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.486 ' CD2' HD23 ' A' ' 79' ' ' LEU . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.573 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.1 t60 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 39' ' ' THR . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.498 ' O ' ' N ' ' A' ' 51' ' ' ALA . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.405 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.454 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.551 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CD1' ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 61.1 mm-40 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.407 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.417 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.536 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 45' ' ' LEU . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 52' ' ' PHE . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.42 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.5 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.418 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.414 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.414 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.414 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -80.91 -17.24 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 36.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.28 149.52 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -43.28 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.0 t -116.33 -54.26 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -130.0 130.97 45.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.518 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -44.21 -57.49 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -79.27 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.98 38.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -151.21 149.39 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -50.29 174.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.82 -89.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.11 2.31 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -46.97 -35.46 6.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -89.33 -24.99 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.2 mt -63.72 -50.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.474 ' N ' HD12 ' A' ' 17' ' ' LEU . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.502 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 ' CG2' HD12 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.429 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.571 HG23 ' CG ' ' A' ' 82' ' ' HIS . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.424 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.429 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.465 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.513 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.47 HD12 ' CG2' ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.5 mm-40 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.475 HG11 ' CD1' ' A' ' 45' ' ' LEU . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 HD11 ' CZ ' ' A' ' 52' ' ' PHE . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.411 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.571 ' CG ' HG23 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.456 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.452 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.53 -17.77 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -90.69 37.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.47 -158.26 53.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.24 47.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.1 m -118.7 111.01 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -97.43 97.8 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 70.17 41.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -92.28 102.32 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.3 -39.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -70.56 112.27 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -71.73 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 -66.64 0.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.6 pp -79.91 -13.81 59.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -43.93 -28.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -90.15 -28.96 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 8' ' ' LEU . 74.4 mt -59.78 -49.76 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.557 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' N ' HD13 ' A' ' 17' ' ' LEU . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.463 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.463 ' OD1' ' CG2' ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.432 ' CD2' HD21 ' A' ' 79' ' ' LEU . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.582 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 41' ' ' HIS . 1.5 t60 -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.582 ' CE1' HG23 ' A' ' 39' ' ' THR . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.474 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.576 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 3.7 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.41 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 44.1 mm-40 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.499 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.511 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.411 ' ND1' HG22 ' A' ' 39' ' ' THR . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.506 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.36 -17.48 45.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -88.75 36.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.66 -170.01 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 130.53 19.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' SER . 29.6 t -118.71 123.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' SER . 17.8 m 37.49 42.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -127.05 43.29 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -152.06 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.01 169.98 46.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -101.45 140.56 35.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -82.65 87.63 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -72.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' HB3' ' HB3' ' A' ' 89' ' ' ALA . 3.4 pp -64.04 -10.55 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -47.38 -30.85 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.68 -23.06 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -64.07 -51.03 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' CE3' ' A' ' 38' ' ' TRP . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.532 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 79' ' ' LEU . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' CE3' HD11 ' A' ' 17' ' ' LEU . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.572 HG23 ' CD1' ' A' ' 43' ' ' TYR . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 21.6 t60 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD1' HG23 ' A' ' 39' ' ' THR . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD12 ' CG1' ' A' ' 78' ' ' VAL . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.541 ' SD ' ' CD2' ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.555 ' CD2' HD11 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.555 HD11 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.485 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' CG1' HD12 ' A' ' 45' ' ' LEU . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD2' ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.498 ' CG ' HG22 ' A' ' 39' ' ' THR . 3.4 t60 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.536 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.466 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.419 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.62 -18.42 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -84.34 32.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.92 145.96 16.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' SER . 68.9 m -113.63 -47.46 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' SER . 15.0 m -34.92 -55.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -45.94 109.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -70.01 174.95 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 -76.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 62.58 42.69 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -155.98 138.56 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 -78.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.6 pt? -79.66 -7.13 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -40.84 -33.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -93.35 -25.35 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.4 mt -61.36 -46.47 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.437 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.412 ' CG2' HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.57 HG22 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.485 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.9 t60 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CE1' HG22 ' A' ' 39' ' ' THR . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.485 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.486 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.581 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD13 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.512 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG13 ' CD2' ' A' ' 43' ' ' TYR . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.512 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.445 ' CG ' HG21 ' A' ' 39' ' ' THR . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.454 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.454 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.73 -17.23 45.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -105.83 38.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.35 39.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -96.1 -51.38 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m 62.51 48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -86.4 -58.8 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -91.11 -57.41 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.03 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 -177.21 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -56.44 179.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -92.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.93 3.9 47.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.1 mmmm -45.93 -37.71 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -84.88 -27.58 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 86.4 mt -63.58 -50.13 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.485 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.485 ' N ' HD12 ' A' ' 17' ' ' LEU . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.497 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.497 ' OD1' ' CG2' ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.444 ' CG2' HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.452 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' CD2' HD23 ' A' ' 79' ' ' LEU . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 ' C ' HD13 ' A' ' 37' ' ' LEU . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.575 HG22 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.9 t60 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.575 ' CE1' HG22 ' A' ' 39' ' ' THR . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 ' CB ' ' HE2' ' A' ' 48' ' ' MET . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.466 ' HE2' ' CB ' ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' HD3' ' C ' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.461 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.452 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.475 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.504 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD13 ' CG2' ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.404 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.436 HG21 ' CD1' ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.452 HD23 ' CD2' ' A' ' 36' ' ' LEU . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.441 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.518 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.403 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.457 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.37 -17.69 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -86.44 33.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.55 172.74 49.18 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.18 4.44 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.288 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 p -158.11 146.14 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.2 p -79.57 -45.17 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -101.73 139.64 37.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -143.65 154.62 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.26 104.35 1.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.547 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -144.86 123.71 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.79 171.81 10.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.11 -93.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.6 3.95 48.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 7.2 mmpt? -52.65 -30.85 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.29 -20.01 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.74 -48.67 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.425 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.486 ' CG2' HD11 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.583 HG21 ' CE1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 8.3 t60 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.451 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 51' ' ' ALA . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.535 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD13 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.486 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.537 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG13 ' CD1' ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.537 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.402 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.21 -17.04 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -84.29 35.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.82 -158.81 21.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.58 8.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 p 58.92 43.97 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -47.49 137.87 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -125.91 115.78 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -47.61 152.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 134.62 16.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -106.78 159.19 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -53.53 150.94 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.99 -71.25 0.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.4 pp -80.86 -14.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.25 -27.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -91.13 -26.37 19.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 8' ' ' LEU . 88.1 mt -63.23 -49.11 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.583 HG23 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.45 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.6 t60 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CD1' HG23 ' A' ' 39' ' ' THR . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.45 ' HB2' ' CG ' ' A' ' 40' ' ' GLU . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.427 ' O ' ' N ' ' A' ' 51' ' ' ALA . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.608 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.608 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.532 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.409 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.16 -18.98 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -104.62 40.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.23 -156.45 28.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 173.87 10.38 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -109.37 -59.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m 49.35 40.28 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -171.02 158.53 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -118.97 -50.83 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.62 72.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -131.52 159.77 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -53.68 172.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -94.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' C ' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.05 3.35 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.6 mmmt -45.6 -34.96 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.98 -26.91 22.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 85.0 mt -63.74 -48.85 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.45 ' CG2' ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.514 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.528 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.435 HG11 ' CD2' ' A' ' 60' ' ' LEU . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' CD2' HD21 ' A' ' 79' ' ' LEU . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.598 HG21 ' CD1' ' A' ' 43' ' ' TYR . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.415 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 9.1 t60 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.598 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.475 ' CD1' ' HE1' ' A' ' 48' ' ' MET . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.475 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.566 ' CD2' HD13 ' A' ' 55' ' ' LEU . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.566 HD13 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.479 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.435 ' CD2' HG11 ' A' ' 32' ' ' VAL . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 8.1 mm-40 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.535 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.484 HD12 ' CZ ' ' A' ' 52' ' ' PHE . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.427 ' CE1' HG23 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.403 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.478 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.0 -21.38 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 t -101.16 40.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.06 152.46 11.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.44 40.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.2 m -116.3 -47.89 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -125.39 102.7 7.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -145.2 132.51 20.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -120.26 134.88 55.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.38 85.41 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.09 129.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -44.81 145.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.64 -87.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.1 pp -66.08 -17.35 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -43.91 -31.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.98 -27.61 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 8' ' ' LEU . 77.6 mt -60.59 -50.98 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.497 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 17' ' ' LEU . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.522 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.53 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.403 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.456 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.589 HG21 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.508 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.543 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 HD13 ' CG2' ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.489 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.543 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.508 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.489 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.553 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.426 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.44 -17.21 46.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -89.05 38.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.46 -164.13 54.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 140.48 42.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 m -121.93 101.31 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 t -78.58 104.21 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -173.85 165.22 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -64.82 157.17 28.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.39 170.99 13.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -151.76 171.84 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -63.02 175.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -66.72 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.4 pp -65.45 -13.87 59.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -43.94 -28.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.68 -27.07 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.9 mt -59.74 -52.78 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 HD12 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.485 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.483 ' CG2' HD11 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.525 HG21 ' CE1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 15.7 t60 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 39' ' ' THR . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.468 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.491 ' SD ' ' CD1' ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HD2' ' NE2' ' A' ' 53' ' ' GLN . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.523 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' NE2' ' HD2' ' A' ' 50' ' ' LYS . 7.6 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.474 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.508 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.426 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.484 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 64' ' ' SER . 78.1 mm-40 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.426 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.523 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.425 HG11 ' CD1' ' A' ' 45' ' ' LEU . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.442 ' ND1' HG23 ' A' ' 39' ' ' THR . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.406 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 -17.56 54.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 t -90.42 38.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.14 170.84 45.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.02 37.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -70.79 147.99 48.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.9 t -89.46 147.65 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -89.71 -52.74 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -74.44 -51.26 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.54 -78.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -164.54 165.42 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 0.0 110.888 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -82.44 172.22 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.65 -91.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.417 ' CD2' ' C ' ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.63 3.78 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 9.4 mmpt? -52.08 -32.66 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.15 -20.93 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -70.78 -47.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.416 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.477 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' CD2' HD21 ' A' ' 79' ' ' LEU . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.574 HG21 ' CE1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.414 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE1' HG21 ' A' ' 39' ' ' THR . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.448 ' CD1' HG21 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.451 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.572 ' CZ ' ' CD ' ' A' ' 71' ' ' ARG . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD11 ' CD2' ' A' ' 52' ' ' PHE . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.45 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.572 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.448 HG21 ' CD1' ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.447 HD21 ' CD2' ' A' ' 36' ' ' LEU . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.422 ' ND1' HG23 ' A' ' 39' ' ' THR . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.465 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -81.82 -17.79 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.1 t -87.19 33.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.18 144.94 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.2 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 m 42.98 46.27 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -101.37 90.91 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -44.35 135.75 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.916 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -112.72 -61.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.43 -79.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -109.48 137.64 47.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -101.8 -171.85 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.76 -25.97 10.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 89' ' ' ALA . 4.1 pp -85.29 -0.53 55.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' ' CB ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -47.66 -35.49 9.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.3 -28.49 27.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.09 -51.47 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.427 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.462 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.486 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.486 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.457 HG13 ' CD2' ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD2' HD21 ' A' ' 79' ' ' LEU . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.586 HG21 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 1.7 t60 -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.586 ' CE1' HG21 ' A' ' 39' ' ' THR . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.446 ' O ' ' N ' ' A' ' 51' ' ' ALA . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.644 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.644 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.546 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' CD2' HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.462 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.534 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG12 ' CD1' ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 HD21 ' CD2' ' A' ' 36' ' ' LEU . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.511 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.432 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.42 ' HB2' ' HB3' ' A' ' 8' ' ' LEU . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 -18.67 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -88.07 36.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.22 158.08 22.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.14 15.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.369 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.1 t -91.1 87.01 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 m 49.03 41.41 19.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -110.91 153.07 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -129.82 156.9 43.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -130.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -45.31 169.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 p -112.0 77.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 -63.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.2 pp -61.6 -15.16 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.471 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.12 -27.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.4 -27.62 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LEU . 86.0 mt -60.4 -52.88 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.42 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.409 ' O ' ' N ' ' A' ' 28' ' ' SER . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.5 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.5 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.474 ' CG2' HD12 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.41 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' CD2' HD21 ' A' ' 79' ' ' LEU . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.487 ' CG2' ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.3 t60 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.487 ' CD1' ' CG2' ' A' ' 39' ' ' THR . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.417 ' O ' ' SD ' ' A' ' 48' ' ' MET . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.46 ' HE2' ' CB ' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 59' ' ' GLU . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.41 HG11 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.445 HD21 ' CD2' ' A' ' 36' ' ' LEU . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.457 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.51 -16.76 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t -90.07 38.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.36 -158.27 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.81 26.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -117.53 43.75 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -85.5 -47.69 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m 62.05 48.22 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -96.28 162.84 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 -85.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 50.19 42.42 25.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p 43.79 41.84 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.17 -52.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -83.91 -15.55 47.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -44.28 -32.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.01 -25.96 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.1 mt -60.2 -50.53 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' O ' ' CD1' ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' CD1' ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.51 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 28' ' ' SER . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.42 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.464 ' CD2' HD21 ' A' ' 79' ' ' LEU . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.569 HG22 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 7.4 t60 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CE1' HG22 ' A' ' 39' ' ' THR . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.477 ' CD1' HG23 ' A' ' 78' ' ' VAL . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.551 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.547 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 HG23 ' CD1' ' A' ' 45' ' ' LEU . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.534 HD11 ' CZ ' ' A' ' 52' ' ' PHE . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.469 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.584 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.88 -16.79 52.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -88.5 39.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.96 -158.66 6.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.57 56.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.7 p -108.94 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.5 p -59.31 125.11 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m 55.82 41.89 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -118.7 -55.39 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 -45.93 2.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -136.59 137.17 39.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -95.01 94.92 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.85 -75.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.7 pp -85.34 -7.0 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -52.41 -28.38 19.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.16 -23.73 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.9 mt -63.91 -50.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.513 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.418 ' CD2' HD21 ' A' ' 79' ' ' LEU . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.565 HG23 ' CD1' ' A' ' 43' ' ' TYR . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 30.9 t60 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CD1' HG23 ' A' ' 39' ' ' THR . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' CD2' ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.493 ' O ' ' N ' ' A' ' 51' ' ' ALA . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.53 ' CD2' ' CD1' ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 8.2 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.447 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.427 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.53 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -100.92 -14.87 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -72.03 -17.52 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.57 -157.77 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 162.21 42.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.264 . . . . 0.0 112.317 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.3 p -119.18 45.13 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -91.89 120.63 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -131.92 -43.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -133.74 132.14 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 93.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -91.41 -10.76 39.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -115.73 39.17 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.62 -51.16 0.98 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.8 pp -76.51 -15.54 59.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -46.95 -26.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.61 -25.45 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' CD1' ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt -62.39 -53.4 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.484 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.484 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.525 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.569 HG21 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.0 t60 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 39' ' ' THR . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.523 ' CD1' HG12 ' A' ' 78' ' ' VAL . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.529 ' HB3' ' CD1' ' A' ' 52' ' ' PHE . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.55 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.446 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.518 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 59' ' ' GLU . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.479 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' CD1' ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.485 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.479 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.444 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.414 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.549 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.471 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.413 ' HB3' ' HB3' ' A' ' 8' ' ' LEU . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.33 -17.07 47.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 t -84.21 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -101.17 -156.97 27.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.52 16.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.2 p -126.68 90.39 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.0 p -63.2 122.24 15.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -99.77 110.8 23.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -46.79 130.46 11.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 -154.9 6.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -150.44 172.52 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -75.88 144.37 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.6 -61.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -65.29 -14.95 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -45.11 -26.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.76 -27.43 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LEU . 82.7 mt -62.11 -51.22 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.47 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.529 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.442 ' CG2' HD11 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' CD2' HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.576 HG22 ' CE1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.576 ' CE1' HG22 ' A' ' 39' ' ' THR . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CB ' ' HE2' ' A' ' 48' ' ' MET . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.506 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.548 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.451 HD13 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.442 HD11 ' CG2' ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.548 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.446 HD22 ' CD2' ' A' ' 36' ' ' LEU . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.566 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.48 -16.67 44.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.3 t -83.91 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.91 50.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.96 7.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p 58.42 50.11 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.0 p -63.18 165.64 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.0 m -35.11 -58.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -90.96 -62.64 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.75 164.34 40.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.19 178.12 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -111.03 80.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 -70.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.1 pp -58.71 -11.21 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -48.83 -26.16 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.31 -29.38 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.4 mt -60.63 -49.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.524 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 17' ' ' LEU . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.492 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.492 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.585 HG22 ' CD1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.9 t60 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.585 ' CD1' HG22 ' A' ' 39' ' ' THR . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.454 ' O ' ' N ' ' A' ' 51' ' ' ALA . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.544 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.436 ' CD1' ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.443 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 HD13 ' CG2' ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.436 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' CG1' HD12 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.527 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.35 -18.71 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 t -99.68 39.08 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.83 -176.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.04 15.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t 54.41 42.75 31.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -103.41 42.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -85.61 -49.83 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -128.87 80.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.01 66.32 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -120.97 130.2 53.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -148.62 145.7 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.04 -77.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.1 pp -52.84 -16.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -44.84 -29.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.65 -28.29 21.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 88.4 mt -61.45 -52.59 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.554 ' C ' ' CD2' ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.512 ' O ' ' CE ' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.418 ' CG2' ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.527 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.512 ' CE ' ' O ' ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD2' HD21 ' A' ' 79' ' ' LEU . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.579 HG23 ' CD1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 5.1 t60 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.579 ' CD1' HG23 ' A' ' 39' ' ' THR . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD1' HG11 ' A' ' 78' ' ' VAL . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.462 ' O ' ' N ' ' A' ' 51' ' ' ALA . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.586 ' CZ ' ' CD ' ' A' ' 71' ' ' ARG . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.503 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 ' CD1' ' HB3' ' A' ' 55' ' ' LEU . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.445 HG11 ' CD1' ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 HD21 ' CD2' ' A' ' 36' ' ' LEU . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.496 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . 0.491 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.404 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -82.31 -19.89 38.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -96.21 31.86 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.37 162.91 25.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 p -39.74 155.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.4 m -37.51 -54.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 14' ' ' ALA . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ASP . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' THR . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.421 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' CB ' HG21 ' A' ' 21' ' ' THR . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.8 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 79' ' ' LEU . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.708 ' CD2' HD12 ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.8 mm100 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.624 HD21 ' SD ' ' A' ' 48' ' ' MET . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' CG ' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.752 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.415 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.645 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.652 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 14' ' ' ALA . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.71 HG22 ' OD1' ' A' ' 31' ' ' ASN . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' ASP . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' O ' HG23 ' A' ' 21' ' ' THR . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 43' ' ' TYR . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 55' ' ' LEU . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.526 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 11.8 mm100 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.614 ' NE ' HD11 ' A' ' 55' ' ' LEU . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.783 HD21 ' SD ' ' A' ' 48' ' ' MET . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.517 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.516 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 85' ' ' ILE . 74.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.434 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.831 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 34' ' ' LYS . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 26' ' ' ASP . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 21' ' ' THR . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' CB ' HG21 ' A' ' 21' ' ' THR . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.632 ' OD1' HG22 ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.966 ' SD ' HD11 ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 12.4 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 56' ' ' ALA . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 14.3 mm100 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 78' ' ' VAL . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 14' ' ' ALA . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' NE1' ' A' ' 27' ' ' TRP . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' THR . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 HD13 ' A' ' 60' ' ' LEU . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' ' 82' ' ' HIS . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CB ' HD21 ' A' ' 45' ' ' LEU . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.972 ' SD ' HD21 ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 32' ' ' VAL . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.972 HD21 ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.468 ' CG ' ' HG1' ' A' ' 39' ' ' THR . 11.6 t-80 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.475 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 86' ' ' TRP . 76.4 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 14' ' ' ALA . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' THR . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CB ' HG21 ' A' ' 21' ' ' THR . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 45' ' ' LEU . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.926 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.73 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 56' ' ' ALA . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 45' ' ' LEU . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.926 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 85' ' ' ILE . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 85' ' ' ILE . 86.4 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 14' ' ' ALA . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.805 HG22 ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' THR . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.505 ' CB ' HG21 ' A' ' 21' ' ' THR . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.805 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' HD13 ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD12 ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' N ' HG13 ' A' ' 78' ' ' VAL . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 34' ' ' LYS . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.468 HD12 ' NE1' ' A' ' 27' ' ' TRP . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.548 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' THR . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' CB ' HG21 ' A' ' 21' ' ' THR . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.856 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.65 HD12 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.856 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 27' ' ' TRP . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' THR . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.496 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.589 HG22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 79' ' ' LEU . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HD12 ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 45' ' ' LEU . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 48' ' ' MET . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HA ' HD13 ' A' ' 85' ' ' ILE . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 85' ' ' ILE . 85.0 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.783 HG22 ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.783 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' HIS . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.755 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.755 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 56' ' ' ALA . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm100 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD21 ' SD ' ' A' ' 48' ' ' MET . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.451 ' HA ' HD13 ' A' ' 11' ' ' ILE . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 86' ' ' TRP . 77.6 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.75 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 14' ' ' ALA . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' THR . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.43 ' N ' HD12 ' A' ' 37' ' ' LEU . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.811 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.941 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLY . 14.3 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 45' ' ' LEU . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.941 HD11 ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.473 ' HA ' HD13 ' A' ' 11' ' ' ILE . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.9 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.324 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' THR . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.627 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.84 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.909 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' SER . 23.1 mm100 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 78' ' ' VAL . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.909 HD11 ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 34' ' ' LYS . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' THR . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 60' ' ' LEU . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' HD22 ' A' ' 18' ' ' LEU . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' CD1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.797 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 45' ' ' LEU . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CD2' HD12 ' A' ' 55' ' ' LEU . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD11 ' NE ' ' A' ' 71' ' ' ARG . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 55' ' ' LEU . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.636 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.502 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HG13 ' A' ' 78' ' ' VAL . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CD ' ' HA ' ' A' ' 13' ' ' THR . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 14' ' ' ALA . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.434 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 21' ' ' THR . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CB ' HG21 ' A' ' 21' ' ' THR . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.54 ' HE1' HD13 ' A' ' 45' ' ' LEU . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.783 ' CD2' HD12 ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD12 ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.479 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.557 ' NE ' HD11 ' A' ' 55' ' ' LEU . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.474 HD11 ' SD ' ' A' ' 48' ' ' MET . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 85' ' ' ILE . 86.0 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' NE1' ' A' ' 27' ' ' TRP . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 26' ' ' ASP . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 21' ' ' THR . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.62 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.542 ' N ' HD12 ' A' ' 37' ' ' LEU . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.788 ' CB ' HD21 ' A' ' 45' ' ' LEU . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.788 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG3' HD12 ' A' ' 74' ' ' LEU . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' NE ' ' A' ' 71' ' ' ARG . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.511 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' A' ' 31' ' ' ASN . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.624 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 21' ' ' THR . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.624 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.705 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.67 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 8.7 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.67 HD21 ' SD ' ' A' ' 48' ' ' MET . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 85' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 27' ' ' TRP . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' THR . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.492 ' CB ' HG21 ' A' ' 21' ' ' THR . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 60' ' ' LEU . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.797 ' HB3' HD22 ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.777 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.957 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.678 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 11.9 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.678 HD12 ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.957 HD11 ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' NE1' ' A' ' 27' ' ' TRP . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.523 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' THR . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 61' ' ' CYS . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.523 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 60' ' ' LEU . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.787 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.787 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.722 ' SD ' HD11 ' A' ' 79' ' ' LEU . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 HD11 ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD11 ' SD ' ' A' ' 48' ' ' MET . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 86' ' ' TRP . 82.7 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.761 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 14' ' ' ALA . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 21' ' ' THR . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' CB ' HG21 ' A' ' 21' ' ' THR . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.83 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 45' ' ' LEU . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 86' ' ' TRP . 93.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.799 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 34' ' ' LYS . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.45 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.553 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.746 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.746 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 79' ' ' LEU . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' HD2' HD12 ' A' ' 79' ' ' LEU . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.509 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 48' ' ' MET . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.474 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 86' ' ' TRP . 88.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.451 HG23 ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.582 ' CB ' HG21 ' A' ' 21' ' ' THR . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 60' ' ' LEU . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.768 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE1' HD13 ' A' ' 45' ' ' LEU . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CD2' HD12 ' A' ' 55' ' ' LEU . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.574 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.516 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 56' ' ' ALA . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 48' ' ' MET . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.511 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -82.11 -58.27 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -70.81 146.07 49.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.3 -120.26 2.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -94.09 151.26 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -44.72 159.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.07 -63.8 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.3 pp -72.86 -15.04 61.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -45.35 -33.53 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.58 -26.08 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.6 mt -62.19 -52.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 14' ' ' ALA . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ASP . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' THR . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.421 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' CB ' HG21 ' A' ' 21' ' ' THR . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.8 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 79' ' ' LEU . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.708 ' CD2' HD12 ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.8 mm100 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.624 HD21 ' SD ' ' A' ' 48' ' ' MET . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' CG ' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.752 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.415 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -80.91 -17.24 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 36.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.28 149.52 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -43.28 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.0 t -116.33 -54.26 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -130.0 130.97 45.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.518 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -44.21 -57.49 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -79.27 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.98 38.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -151.21 149.39 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -50.29 174.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.82 -89.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.757 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.11 2.31 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' N ' HD22 ' A' ' 8' ' ' LEU . 1.4 mmmp? -46.97 -35.46 6.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -89.33 -24.99 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.2 mt -63.72 -50.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.645 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.652 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 14' ' ' ALA . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.71 HG22 ' OD1' ' A' ' 31' ' ' ASN . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' ASP . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' O ' HG23 ' A' ' 21' ' ' THR . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 43' ' ' TYR . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.9 t-80 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 55' ' ' LEU . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.526 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 11.8 mm100 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.614 ' NE ' HD11 ' A' ' 55' ' ' LEU . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.783 HD21 ' SD ' ' A' ' 48' ' ' MET . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.517 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.516 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.53 -17.77 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -90.69 37.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.47 -158.26 53.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.24 47.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.1 m -118.7 111.01 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -97.43 97.8 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 70.17 41.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -92.28 102.32 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.3 -39.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -70.56 112.27 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -71.73 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 -66.64 0.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.6 pp -79.91 -13.81 59.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -43.93 -28.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -90.15 -28.96 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 85' ' ' ILE . 74.4 mt -59.78 -49.76 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.434 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.831 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 34' ' ' LYS . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 26' ' ' ASP . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 21' ' ' THR . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' CB ' HG21 ' A' ' 21' ' ' THR . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.632 ' OD1' HG22 ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.966 ' SD ' HD11 ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 12.4 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 56' ' ' ALA . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 14.3 mm100 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 78' ' ' VAL . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . -82.36 -17.48 45.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -88.75 36.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.66 -170.01 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 130.53 19.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' SER . 29.6 t -118.71 123.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' SER . 17.8 m 37.49 42.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -127.05 43.29 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -152.06 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.01 169.98 46.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -101.45 140.56 35.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -82.65 87.63 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -72.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.4 pp -64.04 -10.55 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -47.38 -30.85 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.68 -23.06 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -64.07 -51.03 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 14' ' ' ALA . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' NE1' ' A' ' 27' ' ' TRP . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' THR . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 HD13 ' A' ' 60' ' ' LEU . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.468 ' HG1' ' CG ' ' A' ' 82' ' ' HIS . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CB ' HD21 ' A' ' 45' ' ' LEU . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.972 ' SD ' HD21 ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 32' ' ' VAL . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.972 HD21 ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.468 ' CG ' ' HG1' ' A' ' 39' ' ' THR . 11.6 t-80 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.475 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.62 -18.42 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -84.34 32.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.92 145.96 16.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' SER . 68.9 m -113.63 -47.46 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' SER . 15.0 m -34.92 -55.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -45.94 109.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -70.01 174.95 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 -76.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 62.58 42.69 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -155.98 138.56 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 -78.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.6 pt? -79.66 -7.13 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -40.84 -33.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -93.35 -25.35 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.4 mt -61.36 -46.47 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 14' ' ' ALA . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' THR . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CB ' HG21 ' A' ' 21' ' ' THR . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 13.6 t-80 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 45' ' ' LEU . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.926 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.73 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 56' ' ' ALA . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 45' ' ' LEU . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.926 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 85' ' ' ILE . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.73 -17.23 45.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -105.83 38.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.35 39.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -96.1 -51.38 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m 62.51 48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -86.4 -58.8 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -91.11 -57.41 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.03 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 -177.21 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -56.44 179.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -92.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.93 3.9 47.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' N ' HD22 ' A' ' 8' ' ' LEU . 7.1 mmmm -45.93 -37.71 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -84.88 -27.58 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 85' ' ' ILE . 86.4 mt -63.58 -50.13 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 14' ' ' ALA . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.805 HG22 ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' THR . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.505 ' CB ' HG21 ' A' ' 21' ' ' THR . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.805 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' HD13 ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD12 ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' N ' HG13 ' A' ' 78' ' ' VAL . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.37 -17.69 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -86.44 33.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.55 172.74 49.18 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.18 4.44 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.288 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 p -158.11 146.14 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.2 p -79.57 -45.17 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -101.73 139.64 37.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -143.65 154.62 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.26 104.35 1.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.547 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -144.86 123.71 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.79 171.81 10.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.11 -93.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.733 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.6 3.95 48.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' N ' HD22 ' A' ' 8' ' ' LEU . 7.2 mmpt? -52.65 -30.85 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.29 -20.01 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.74 -48.67 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 34' ' ' LYS . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.468 HD12 ' NE1' ' A' ' 27' ' ' TRP . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.548 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' THR . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' CB ' HG21 ' A' ' 21' ' ' THR . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.856 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.65 HD12 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.856 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.21 -17.04 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -84.29 35.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.82 -158.81 21.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.58 8.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 p 58.92 43.97 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -47.49 137.87 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -125.91 115.78 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -47.61 152.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 134.62 16.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -106.78 159.19 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -53.53 150.94 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.99 -71.25 0.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.4 pp -80.86 -14.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.25 -27.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -91.13 -26.37 19.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 8' ' ' LEU . 88.1 mt -63.23 -49.11 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 27' ' ' TRP . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' THR . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.496 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.589 HG22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 79' ' ' LEU . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HD12 ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 45' ' ' LEU . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 48' ' ' MET . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HA ' HD13 ' A' ' 85' ' ' ILE . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.16 -18.98 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -104.62 40.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.23 -156.45 28.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 173.87 10.38 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -109.37 -59.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m 49.35 40.28 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -171.02 158.53 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -118.97 -50.83 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.62 72.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -131.52 159.77 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -53.68 172.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -94.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.05 3.35 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' N ' HD22 ' A' ' 8' ' ' LEU . 25.6 mmmt -45.6 -34.96 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.98 -26.91 22.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 85' ' ' ILE . 85.0 mt -63.74 -48.85 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.783 HG22 ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.783 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' HIS . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.3 t-80 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.755 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.755 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 56' ' ' ALA . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm100 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD21 ' SD ' ' A' ' 48' ' ' MET . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.451 ' HA ' HD13 ' A' ' 11' ' ' ILE . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.0 -21.38 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 t -101.16 40.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.06 152.46 11.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.44 40.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.2 m -116.3 -47.89 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -125.39 102.7 7.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -145.2 132.51 20.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -120.26 134.88 55.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.38 85.41 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.09 129.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -44.81 145.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.64 -87.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.1 pp -66.08 -17.35 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -43.91 -31.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.98 -27.61 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 86' ' ' TRP . 77.6 mt -60.59 -50.98 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.75 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 14' ' ' ALA . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' THR . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.43 ' N ' HD12 ' A' ' 37' ' ' LEU . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.9 t-80 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.811 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.941 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLY . 14.3 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 45' ' ' LEU . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.941 HD11 ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.473 ' HA ' HD13 ' A' ' 11' ' ' ILE . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . -82.44 -17.21 46.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -89.05 38.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.46 -164.13 54.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 140.48 42.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 m -121.93 101.31 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 t -78.58 104.21 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -173.85 165.22 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -64.82 157.17 28.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.39 170.99 13.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -151.76 171.84 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -63.02 175.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -66.72 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.4 pp -65.45 -13.87 59.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -43.94 -28.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.68 -27.07 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.9 mt -59.74 -52.78 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' THR . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.627 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.1 t-80 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.84 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.909 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' SER . 23.1 mm100 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 78' ' ' VAL . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.909 HD11 ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 -17.56 54.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 t -90.42 38.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.14 170.84 45.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.02 37.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -70.79 147.99 48.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.9 t -89.46 147.65 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -89.71 -52.74 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -74.44 -51.26 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.54 -78.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -164.54 165.42 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 0.0 110.888 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -82.44 172.22 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.65 -91.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.63 3.78 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' HD22 ' A' ' 8' ' ' LEU . 9.4 mmpt? -52.08 -32.66 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.15 -20.93 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -70.78 -47.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 34' ' ' LYS . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' THR . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 60' ' ' LEU . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' HD22 ' A' ' 18' ' ' LEU . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' CD1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.797 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 45' ' ' LEU . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CD2' HD12 ' A' ' 55' ' ' LEU . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD11 ' NE ' ' A' ' 71' ' ' ARG . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 55' ' ' LEU . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.502 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HG13 ' A' ' 78' ' ' VAL . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -81.82 -17.79 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.1 t -87.19 33.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.18 144.94 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.2 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 m 42.98 46.27 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -101.37 90.91 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -44.35 135.75 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.916 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -112.72 -61.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.43 -79.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -109.48 137.64 47.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.489 ' CB ' ' HD3' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -101.8 -171.85 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.76 -25.97 10.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -85.29 -0.53 55.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD3' ' CB ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -47.66 -35.49 9.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.3 -28.49 27.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.09 -51.47 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CD ' ' HA ' ' A' ' 13' ' ' THR . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 14' ' ' ALA . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.434 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 21' ' ' THR . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CB ' HG21 ' A' ' 21' ' ' THR . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.54 ' HE1' HD13 ' A' ' 45' ' ' LEU . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.783 ' CD2' HD12 ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD12 ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.479 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.557 ' NE ' HD11 ' A' ' 55' ' ' LEU . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD11 ' SD ' ' A' ' 48' ' ' MET . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 -18.67 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -88.07 36.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.22 158.08 22.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.14 15.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.369 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.1 t -91.1 87.01 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 m 49.03 41.41 19.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -110.91 153.07 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -129.82 156.9 43.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -130.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -45.31 169.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 p -112.0 77.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 -63.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.2 pp -61.6 -15.16 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.12 -27.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.4 -27.62 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 85' ' ' ILE . 86.0 mt -60.4 -52.88 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' NE1' ' A' ' 27' ' ' TRP . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 26' ' ' ASP . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 21' ' ' THR . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.62 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.542 ' N ' HD12 ' A' ' 37' ' ' LEU . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.788 ' CB ' HD21 ' A' ' 45' ' ' LEU . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.788 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG3' HD12 ' A' ' 74' ' ' LEU . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' NE ' ' A' ' 71' ' ' ARG . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.511 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.51 -16.76 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t -90.07 38.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.36 -158.27 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.81 26.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -117.53 43.75 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -85.5 -47.69 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m 62.05 48.22 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -96.28 162.84 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 -85.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 50.19 42.42 25.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p 43.79 41.84 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.17 -52.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -83.91 -15.55 47.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -44.28 -32.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.01 -25.96 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.1 mt -60.2 -50.53 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' A' ' 31' ' ' ASN . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.624 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 21' ' ' THR . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.624 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.705 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.67 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 8.7 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.67 HD21 ' SD ' ' A' ' 48' ' ' MET . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.88 -16.79 52.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -88.5 39.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.96 -158.66 6.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.57 56.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.7 p -108.94 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.5 p -59.31 125.11 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m 55.82 41.89 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -118.7 -55.39 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 -45.93 2.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -136.59 137.17 39.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -95.01 94.92 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.85 -75.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.7 pp -85.34 -7.0 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -52.41 -28.38 19.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.16 -23.73 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 85' ' ' ILE . 78.9 mt -63.91 -50.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 27' ' ' TRP . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' THR . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' CB ' HG21 ' A' ' 21' ' ' THR . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 60' ' ' LEU . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.797 ' HB3' HD22 ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.777 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.957 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.678 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 11.9 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.678 HD12 ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.957 HD11 ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -100.92 -14.87 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -72.03 -17.52 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.57 -157.77 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 162.21 42.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.264 . . . . 0.0 112.317 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.3 p -119.18 45.13 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -91.89 120.63 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -131.92 -43.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -133.74 132.14 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 93.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -91.41 -10.76 39.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -115.73 39.17 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.62 -51.16 0.98 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.8 pp -76.51 -15.54 59.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -46.95 -26.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.61 -25.45 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt -62.39 -53.4 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' NE1' ' A' ' 27' ' ' TRP . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.523 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' THR . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 61' ' ' CYS . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.523 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 60' ' ' LEU . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.787 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.787 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.722 ' SD ' HD11 ' A' ' 79' ' ' LEU . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 HD11 ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD11 ' SD ' ' A' ' 48' ' ' MET . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.33 -17.07 47.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 t -84.21 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -101.17 -156.97 27.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.52 16.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.2 p -126.68 90.39 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.0 p -63.2 122.24 15.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -99.77 110.8 23.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -46.79 130.46 11.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 -154.9 6.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -150.44 172.52 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -75.88 144.37 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.6 -61.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -65.29 -14.95 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -45.11 -26.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.76 -27.43 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 86' ' ' TRP . 82.7 mt -62.11 -51.22 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.761 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 14' ' ' ALA . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 21' ' ' THR . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' CB ' HG21 ' A' ' 21' ' ' THR . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.83 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 45' ' ' LEU . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . -83.48 -16.67 44.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.3 t -83.91 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.91 50.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.96 7.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p 58.42 50.11 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.0 p -63.18 165.64 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.0 m -35.11 -58.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -90.96 -62.64 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.75 164.34 40.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.19 178.12 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -111.03 80.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 -70.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.1 pp -58.71 -11.21 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -48.83 -26.16 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.31 -29.38 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 86' ' ' TRP . 93.4 mt -60.63 -49.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.799 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 34' ' ' LYS . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.45 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.553 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.746 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.746 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 79' ' ' LEU . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' HD2' HD12 ' A' ' 79' ' ' LEU . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.509 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 48' ' ' MET . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.474 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.35 -18.71 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 t -99.68 39.08 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.83 -176.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.04 15.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t 54.41 42.75 31.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -103.41 42.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -85.61 -49.83 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -128.87 80.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.01 66.32 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -120.97 130.2 53.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -148.62 145.7 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.04 -77.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.1 pp -52.84 -16.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -44.84 -29.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.65 -28.29 21.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 86' ' ' TRP . 88.4 mt -61.45 -52.59 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.451 HG23 ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.582 ' CB ' HG21 ' A' ' 21' ' ' THR . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 60' ' ' LEU . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.768 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE1' HD13 ' A' ' 45' ' ' LEU . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CD2' HD12 ' A' ' 55' ' ' LEU . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.574 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.516 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 56' ' ' ALA . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 48' ' ' MET . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.511 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -82.31 -19.89 38.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -96.21 31.86 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.37 162.91 25.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 p -39.74 155.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.4 m -37.51 -54.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.815 0.341 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 14' ' ' ALA . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ASP . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' THR . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.421 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.506 ' CB ' HG21 ' A' ' 21' ' ' THR . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.1 t60 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.8 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 79' ' ' LEU . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.708 ' CD2' HD12 ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 61.1 mm-40 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.624 HD21 ' SD ' ' A' ' 48' ' ' MET . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.4 ' CG ' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.752 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.415 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.2 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.794 0.331 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.645 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.652 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 14' ' ' ALA . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.71 HG22 ' OD1' ' A' ' 31' ' ' ASN . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' ASP . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.58 ' O ' HG23 ' A' ' 21' ' ' THR . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.538 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 43' ' ' TYR . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 55' ' ' LEU . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.526 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.5 mm-40 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.614 ' NE ' HD11 ' A' ' 55' ' ' LEU . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.783 HD21 ' SD ' ' A' ' 48' ' ' MET . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.517 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.516 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 85' ' ' ILE . 74.4 mt . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.785 0.326 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.434 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.831 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 34' ' ' LYS . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 26' ' ' ASP . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 21' ' ' THR . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.56 ' CB ' HG21 ' A' ' 21' ' ' THR . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.632 ' OD1' HG22 ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 41' ' ' HIS . 1.5 t60 -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.966 ' SD ' HD11 ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 3.7 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 56' ' ' ALA . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 44.1 mm-40 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 78' ' ' VAL . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 79.6 mt . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.837 0.351 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 14' ' ' ALA . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' NE1' ' A' ' 27' ' ' TRP . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' THR . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 HD13 ' A' ' 60' ' ' LEU . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 21.6 t60 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CB ' HD21 ' A' ' 45' ' ' LEU . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.972 ' SD ' HD21 ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.5 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 32' ' ' VAL . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.972 HD21 ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.475 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.41 ' CD1' ' HA ' ' A' ' 86' ' ' TRP . 76.4 mt . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.845 0.355 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.647 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 14' ' ' ALA . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' THR . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CB ' HG21 ' A' ' 21' ' ' THR . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.9 t60 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 45' ' ' LEU . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.926 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.73 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.73 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 56' ' ' ALA . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 45' ' ' LEU . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.926 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 85' ' ' ILE . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 85' ' ' ILE . 86.4 mt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.785 0.326 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 14' ' ' ALA . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.805 HG22 ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' THR . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.505 ' CB ' HG21 ' A' ' 21' ' ' THR . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.805 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.9 t60 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' HD13 ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.647 HD12 ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.511 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.48 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.526 ' N ' HG13 ' A' ' 78' ' ' VAL . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.825 0.345 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 34' ' ' LYS . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.468 HD12 ' NE1' ' A' ' 27' ' ' TRP . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.548 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' THR . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.548 ' CB ' HG21 ' A' ' 21' ' ' THR . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 8.3 t60 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.856 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.65 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.65 HD12 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.856 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 88.1 mt . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.764 0.316 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 27' ' ' TRP . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' THR . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.54 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.496 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.589 HG22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.6 t60 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 79' ' ' LEU . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HD12 ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 45' ' ' LEU . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 48' ' ' MET . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HA ' HD13 ' A' ' 85' ' ' ILE . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 85' ' ' ILE . 85.0 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.848 0.356 . . . . 0.0 111.14 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.783 HG22 ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.783 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' HIS . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 9.1 t60 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.755 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.755 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.493 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 56' ' ' ALA . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 8.1 mm-40 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 HD21 ' SD ' ' A' ' 48' ' ' MET . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.519 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.451 ' HA ' HD13 ' A' ' 11' ' ' ILE . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 86' ' ' TRP . 77.6 mt . . . . . 0 N--CA 1.458 -0.066 0 CA-C-O 120.787 0.327 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.75 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 14' ' ' ALA . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' THR . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.554 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.43 ' N ' HD12 ' A' ' 37' ' ' LEU . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.811 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.811 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.941 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLY . 5.9 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 45' ' ' LEU . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.941 HD11 ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.473 ' HA ' HD13 ' A' ' 11' ' ' ILE . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.418 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.9 mt . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.781 0.324 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.661 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' THR . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.627 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.414 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 15.7 t60 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.84 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.84 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.909 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HD2' ' NE2' ' A' ' 53' ' ' GLN . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.465 ' NE2' ' HD2' ' A' ' 50' ' ' LYS . 7.6 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.519 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' SER . 78.1 mm-40 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 78' ' ' VAL . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.909 HD11 ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.77 0.319 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 34' ' ' LYS . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' THR . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.498 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 60' ' ' LEU . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' HD22 ' A' ' 18' ' ' LEU . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' CD1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.797 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 45' ' ' LEU . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CD2' HD12 ' A' ' 55' ' ' LEU . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.636 HD11 ' NE ' ' A' ' 71' ' ' ARG . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 55' ' ' LEU . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.636 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.502 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HG13 ' A' ' 78' ' ' VAL . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.805 0.336 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CD ' ' HA ' ' A' ' 13' ' ' THR . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 14' ' ' ALA . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.434 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 21' ' ' THR . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CB ' HG21 ' A' ' 21' ' ' THR . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 1.7 t60 -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.54 ' HE1' HD13 ' A' ' 45' ' ' LEU . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.783 ' CD2' HD12 ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.783 HD12 ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.479 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.557 ' NE ' HD11 ' A' ' 55' ' ' LEU . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.474 HD11 ' SD ' ' A' ' 48' ' ' MET . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 85' ' ' ILE . 86.0 mt . . . . . 0 N--CA 1.457 -0.085 0 CA-C-O 120.849 0.357 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.508 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' NE1' ' A' ' 27' ' ' TRP . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 26' ' ' ASP . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 21' ' ' THR . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.62 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.542 ' N ' HD12 ' A' ' 37' ' ' LEU . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.3 t60 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.788 ' CB ' HD21 ' A' ' 45' ' ' LEU . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.788 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG3' HD12 ' A' ' 74' ' ' LEU . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' NE ' ' A' ' 71' ' ' ARG . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.511 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.464 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.79 0.329 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' A' ' 31' ' ' ASN . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.624 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 21' ' ' THR . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.624 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 7.4 t60 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.705 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.705 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.67 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.67 HD21 ' SD ' ' A' ' 48' ' ' MET . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 85' ' ' ILE . 78.9 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.794 0.33 . . . . 0.0 111.154 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 27' ' ' TRP . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' THR . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.492 ' CB ' HG21 ' A' ' 21' ' ' THR . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 60' ' ' LEU . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.797 ' HB3' HD22 ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 30.9 t60 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.777 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.957 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.678 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 8.2 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.678 HD12 ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.957 HD11 ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.768 0.318 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' NE1' ' A' ' 27' ' ' TRP . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.523 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' THR . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 61' ' ' CYS . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.523 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 60' ' ' LEU . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.0 t60 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.787 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.787 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.722 ' SD ' HD11 ' A' ' 79' ' ' LEU . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 HD11 ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.722 HD11 ' SD ' ' A' ' 48' ' ' MET . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.431 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.658 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 86' ' ' TRP . 82.7 mt . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.79 0.329 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.761 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 14' ' ' ALA . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 21' ' ' THR . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.546 ' CB ' HG21 ' A' ' 21' ' ' THR . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.592 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.83 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 45' ' ' LEU . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 86' ' ' TRP . 93.4 mt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.742 0.306 . . . . 0.0 111.129 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.799 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 34' ' ' LYS . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.45 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.553 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.9 t60 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.746 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.746 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 79' ' ' LEU . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.412 ' HD2' HD12 ' A' ' 79' ' ' LEU . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.509 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 48' ' ' MET . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.474 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 86' ' ' TRP . 88.4 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.847 0.356 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.451 HG23 ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.582 ' CB ' HG21 ' A' ' 21' ' ' THR . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 60' ' ' LEU . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 5.1 t60 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.768 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE1' HD13 ' A' ' 45' ' ' LEU . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CD2' HD12 ' A' ' 55' ' ' LEU . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.574 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.516 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 56' ' ' ALA . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 48' ' ' MET . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.501 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.511 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.2 m -82.11 -58.27 3.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.8 m -70.81 146.07 49.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -123.3 -120.26 2.56 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.0 p -94.09 151.26 19.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.873 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.0 p -44.72 159.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.903 -179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.07 -63.8 0.28 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.536 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.3 pp -72.86 -15.04 61.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.887 0.375 . . . . 0.0 110.901 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -45.35 -33.53 2.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.58 -26.08 28.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.825 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.427 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.6 mt -62.19 -52.89 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.094 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.458 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.6 pt-20 -50.06 -41.01 47.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 29.0 m -58.75 -24.76 62.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.153 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.646 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.56 -13.17 32.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 61.0 m -96.78 -10.88 25.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.458 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.1 mttt -72.4 -54.12 10.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.753 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.52 -7.04 55.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.939 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 14' ' ' ALA . 86.2 mt -104.41 -18.48 14.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 40.3 t30 58.49 41.86 21.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 24.1 pt -121.04 -177.12 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.111 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 23' ' ' ASP . 11.6 t -98.08 134.81 40.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.161 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.34 -30.5 4.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.095 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.571 ' O ' HG23 ' A' ' 21' ' ' THR . 34.6 t0 -79.74 119.39 76.62 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.608 0.718 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.526 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.1 Cg_endo -69.72 -32.48 18.63 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.421 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.1 mtp -71.66 -5.67 35.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.889 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.506 ' CB ' HG21 ' A' ' 21' ' ' THR . 12.8 m-20 -106.17 -7.06 18.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.873 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.74 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -51.79 104.14 0.08 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.37 157.49 19.37 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.696 0.76 . . . . 0.0 110.851 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -47.12 0.32 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.669 -1.805 . . . . 0.0 112.359 -0.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 63.7 p -120.78 35.44 4.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.8 m-20 -59.08 -33.06 70.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 33.7 t -43.97 -46.16 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 89.7 mm-40 -50.65 -37.66 42.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.929 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.9 mtpp -65.9 -51.69 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.74 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.4 t90 -62.38 -19.91 63.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -80.12 -69.2 0.61 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.81 -24.93 2.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.5 t-105 -62.83 -73.41 0.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.934 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.518 HG22 ' CD1' ' A' ' 43' ' ' TYR . 4.0 m -66.88 -31.78 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.138 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.477 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.1 tt0 -53.03 -29.84 32.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.1 t60 -89.49 -16.33 31.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -91.31 -14.65 30.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.977 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.8 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.7 m-85 -121.6 1.25 10.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.936 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.3 mmt85 59.8 45.29 12.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.862 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.8 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -90.87 156.59 44.4 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.607 0.718 . . . . 0.0 110.956 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 170.35 16.76 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 103.06 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.608 2.205 . . . . 0.0 112.345 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.624 ' SD ' HD21 ' A' ' 79' ' ' LEU . 3.9 mtt -96.83 -25.31 15.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.78 -35.27 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.474 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.3 tmtt? -72.89 -37.72 67.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.937 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.15 -31.05 58.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.708 ' CD2' HD12 ' A' ' 55' ' ' LEU . 9.8 m-85 -102.39 -0.56 32.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 4.1 pt20 -43.5 -38.0 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -86.39 -26.33 24.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.708 HD12 ' CD2' ' A' ' 52' ' ' PHE . 86.4 mt -69.07 151.45 46.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -127.17 -176.87 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.95 -54.52 30.75 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.479 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.16 -56.14 24.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.768 0.318 . . . . 0.0 110.93 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 58.4 mm-40 -46.55 -66.9 0.33 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.834 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 55' ' ' LEU . 7.6 mp -37.11 -58.39 0.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.421 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 2.3 t -65.23 -27.96 69.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.83 -8.22 59.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.442 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 25.3 mtm -86.5 -178.17 6.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.454 ' O ' ' C ' ' A' ' 65' ' ' GLU . 12.4 m -128.68 149.66 50.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.02 -61.81 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.28 -42.87 21.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.921 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 64' ' ' SER . 61.1 mm-40 -58.5 -47.64 83.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.4 m-85 -60.54 -25.07 65.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.8 mtm105 -86.29 -19.96 29.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.843 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -70.25 -24.35 63.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.55 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.1 ptp85 -104.38 -30.17 10.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.851 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.406 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 47.3 t -134.37 99.42 13.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.704 0.764 . . . . 0.0 110.857 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.3 Cg_endo -69.68 -48.33 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.691 2.261 . . . . 0.0 112.367 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.5 -23.24 66.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.425 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -117.41 -85.33 1.09 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.459 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.44 -93.23 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.499 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.425 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.4 t0 -39.98 -37.69 0.62 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.81 0.338 . . . . 0.0 110.87 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.6 t -58.36 -50.14 79.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.094 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.624 HD21 ' SD ' ' A' ' 48' ' ' MET . 82.5 mt -60.59 -61.52 2.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.898 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.425 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 52.0 t-80 -54.08 -22.04 9.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.84 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -83.16 -67.5 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.096 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.4 ' CG ' HG21 ' A' ' 39' ' ' THR . 3.2 t60 -55.38 -14.03 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.837 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.415 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 55.1 tp -86.62 -43.36 12.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.409 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 22.8 t70 -41.85 -44.27 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.752 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.76 -38.49 58.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.415 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 19.5 m95 -74.29 -66.17 0.76 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -46.32 -42.07 14.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.7 t -60.29 -44.53 95.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.877 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -74.5 -26.26 59.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.437 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -80.91 -17.24 51.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.118 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.0 t -89.75 36.15 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.822 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 78.28 149.52 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.471 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -43.28 2.73 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.655 2.237 . . . . 0.0 112.341 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 41.0 t -116.33 -54.26 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.857 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.6 m -130.0 130.97 45.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.837 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.518 -179.967 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -44.21 -57.49 3.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.903 0.382 . . . . 0.0 110.84 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.0 t -79.27 90.56 4.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.98 38.9 0.18 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.526 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 m -151.21 149.39 29.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.901 0.382 . . . . 0.0 110.863 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -50.29 174.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 125.82 -89.65 0.37 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.463 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.757 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.11 2.31 45.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.902 0.382 . . . . 0.0 110.929 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' N ' HD22 ' A' ' 8' ' ' LEU . 1.4 mmmp? -46.97 -35.46 6.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.897 179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -89.33 -24.99 21.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.516 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.2 mt -63.72 -50.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.102 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -52.45 -44.85 65.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 10.0 m -56.24 -25.22 46.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.645 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.09 32.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.456 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.5 m -96.81 -10.96 25.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.98 -58.22 3.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.652 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -73.9 -4.48 35.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.645 HD12 ' O ' ' A' ' 14' ' ' ALA . 61.7 mt -103.78 -22.02 13.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.421 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 20.5 t-20 62.71 42.76 7.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.71 HG22 ' OD1' ' A' ' 31' ' ' ASN . 15.8 pt -125.53 179.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 23' ' ' ASP . 15.1 t -93.9 137.83 32.7 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.71 -23.52 4.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.58 ' O ' HG23 ' A' ' 21' ' ' THR . 48.2 t0 -86.84 120.3 71.61 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.628 0.728 . . . . 0.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.532 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.2 Cg_endo -69.7 -32.87 17.94 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.371 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mtp -70.73 -5.6 31.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.538 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -106.96 -6.29 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.718 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.0 m0 -53.68 106.35 0.18 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 1.5 m -167.69 160.99 10.08 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.66 0.743 . . . . 0.0 110.883 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.499 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.9 Cg_endo -69.72 -32.82 3.68 Favored 'Cis proline' 0 C--N 1.341 0.154 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.097 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.7 m -134.92 41.04 2.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.827 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.71 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -65.36 -29.88 70.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.517 HG21 HD13 ' A' ' 60' ' ' LEU . 33.5 t -48.08 -48.18 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.435 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 93.7 mm-40 -47.39 -32.74 5.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.968 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 mtpp -72.56 -60.22 2.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.918 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.718 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.3 t90 -51.49 -17.79 0.9 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.2 mt -82.96 -68.33 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.55 -18.28 0.41 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 36.8 t-105 -70.33 -73.09 0.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.903 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.566 HG22 ' CD1' ' A' ' 43' ' ' TYR . 6.1 m -68.37 -32.93 73.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.183 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.6 tt0 -52.86 -28.27 22.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -91.82 -16.09 27.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -92.65 -9.95 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.2 m-85 -125.02 -0.86 7.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.912 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 63.29 43.17 6.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.834 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.22 155.98 46.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.608 0.718 . . . . 0.0 110.917 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 170.57 16.28 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.709 2.272 . . . . 0.0 112.298 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 98.1 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.701 2.267 . . . . 0.0 112.39 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.8 mtt -91.69 -27.2 18.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.858 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.59 -41.77 2.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -66.44 -33.88 76.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.854 0.359 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.99 -14.35 41.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.096 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.693 ' CD2' HD12 ' A' ' 55' ' ' LEU . 15.8 m-85 -111.17 4.27 19.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.901 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.435 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 7.4 mt-30 -52.27 -40.05 61.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -79.54 -24.4 42.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' A' ' 52' ' ' PHE . 97.9 mt -74.8 152.17 39.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.921 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.414 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.39 -177.15 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.089 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.526 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.69 -53.47 35.82 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.474 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.8 ptpt -57.54 -58.57 7.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.926 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.2 mm-40 -44.07 -65.95 0.45 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -38.05 -59.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -63.07 -26.97 69.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.942 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -86.65 -6.52 58.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.455 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.1 mtm -86.87 176.86 7.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.2 m -125.12 150.66 46.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.876 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.7 tt0 -34.16 -61.17 0.38 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -48.74 -42.01 33.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.849 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 7.5 mm-40 -58.34 -44.74 88.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -64.86 -25.89 68.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 46.1 mtm180 -84.07 -19.73 33.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -69.21 -27.19 65.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.614 ' NE ' HD11 ' A' ' 55' ' ' LEU . 2.1 ptp85 -104.5 -28.79 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.854 -179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 19.0 t -130.64 96.0 24.85 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.677 0.751 . . . . 0.0 110.895 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.78 -50.34 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.428 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -62.55 -22.57 66.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -118.81 -85.26 0.98 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.448 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.82 -91.99 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.0 OUTLIER -38.71 -40.08 0.57 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.86 0.362 . . . . 0.0 110.864 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.4 t -57.07 -48.66 81.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.135 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.783 HD21 ' SD ' ' A' ' 48' ' ' MET . 53.6 mt -60.11 -65.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.939 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.417 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 51.6 t-80 -49.48 -23.12 1.42 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.71 -67.44 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.098 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.517 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.8 t-80 -54.57 -14.78 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.835 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.417 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 46.9 tp -85.55 -42.21 14.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.926 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -42.62 -43.95 4.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -55.85 -38.76 53.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.093 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.516 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.8 m95 -74.38 -68.87 0.49 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -44.46 -43.78 8.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.925 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.0 t -58.52 -44.17 89.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.455 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -77.55 -24.43 49.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.477 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.53 -17.77 37.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.112 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.8 t -90.69 37.96 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.834 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.47 -158.26 53.14 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.449 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 142.24 47.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.651 2.234 . . . . 0.0 112.375 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.1 m -118.7 111.01 17.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -97.43 97.8 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.509 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t 70.17 41.93 1.02 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.867 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.2 m -92.28 102.32 14.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.879 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.3 -39.91 1.74 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.506 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 t -70.56 112.27 6.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.363 . . . . 0.0 110.889 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.9 t -71.73 144.72 49.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 157.22 -66.64 0.29 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.54 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.6 pp -79.91 -13.81 59.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.888 0.375 . . . . 0.0 110.931 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -43.93 -28.28 0.44 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -90.15 -28.96 18.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.91 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.614 HD11 HG22 ' A' ' 85' ' ' ILE . 74.4 mt -59.78 -49.76 82.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.109 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.45 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -53.95 -38.82 65.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.434 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 22.5 m -63.49 -22.55 66.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.154 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.89 -12.97 32.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.429 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.5 m -96.83 -10.87 25.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -71.99 -52.72 15.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.831 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -75.96 -9.72 58.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.959 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.71 HD22 ' HB3' ' A' ' 34' ' ' LYS . 76.8 mt -99.43 -24.09 14.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.934 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 65.16 34.11 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 HG22 ' OD1' ' A' ' 31' ' ' ASN . 20.2 pt -116.88 -174.83 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.56 HG21 ' CB ' ' A' ' 26' ' ' ASP . 6.7 t -95.62 143.48 26.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.96 -30.71 62.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.553 ' O ' HG23 ' A' ' 21' ' ' THR . 31.6 t0 -81.06 122.05 81.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.625 0.726 . . . . 0.0 110.867 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -34.06 15.43 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.713 2.275 . . . . 0.0 112.341 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.9 mtp -69.38 -5.63 24.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.56 ' CB ' HG21 ' A' ' 21' ' ' THR . 11.4 m-20 -106.29 -8.19 17.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.3 m0 -51.59 101.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.507 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -163.53 161.2 17.75 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.612 0.72 . . . . 0.0 110.853 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.2 Cg_endo -69.7 -33.29 3.46 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.405 -0.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.8 t -133.41 40.95 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.825 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.632 ' OD1' HG22 ' A' ' 20' ' ' ILE . 1.8 m-80 -65.13 -36.92 85.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -41.41 -48.5 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.098 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 98.8 mm-40 -46.06 -43.06 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.887 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.71 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -62.72 -55.21 28.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 77.5 t90 -56.51 -18.24 10.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.0 mt -82.69 -70.03 0.58 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.929 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.4 pp -50.19 -21.45 1.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 42.1 t-105 -65.18 -73.26 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.559 HG22 ' CD1' ' A' ' 43' ' ' TYR . 9.7 m -70.0 -34.42 73.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.16 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.545 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.6 tt0 -48.56 -28.14 3.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.841 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.502 ' CD2' ' C ' ' A' ' 41' ' ' HIS . 1.5 t60 -93.23 -18.7 22.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -88.32 -9.36 53.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.918 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.771 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.0 m-85 -126.61 1.08 6.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 62.09 44.7 7.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.891 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.771 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.5 mt -91.27 155.39 44.48 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.585 0.707 . . . . 0.0 110.936 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 170.27 16.93 Favored 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.714 2.276 . . . . 0.0 112.342 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 101.39 0.9 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.679 2.253 . . . . 0.0 112.362 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.966 ' SD ' HD11 ' A' ' 79' ' ' LEU . 4.4 mtt -95.38 -24.59 16.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.854 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.9 -36.67 0.84 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -71.39 -37.01 71.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.783 0.325 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.97 -32.51 57.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.137 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 12.7 m-85 -99.02 -2.58 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.461 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 3.7 pt20 -43.37 -35.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 17.1 pt-20 -88.13 -23.21 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 -179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 81.5 mt -73.05 153.08 41.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.519 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.24 -175.57 3.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.135 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.472 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.0 -52.51 46.3 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.812 -0.709 . . . . 0.0 112.498 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -58.06 -55.81 30.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.753 0.311 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.1 mm-40 -45.48 -66.39 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.519 HD13 ' O ' ' A' ' 56' ' ' ALA . 7.1 mp -37.07 -58.52 0.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -64.29 -28.66 69.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.28 -7.44 59.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.43 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -88.25 178.43 6.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.4 m -127.58 148.99 50.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 10.9 tt0 -34.09 -59.18 0.44 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -48.87 -43.12 38.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 44.1 mm-40 -60.46 -43.46 96.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 39.9 m-85 -63.67 -24.67 67.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.454 ' HB3' ' NH1' ' A' ' 69' ' ' ARG . 13.7 mtp-105 -86.86 -21.65 26.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.827 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.6 mt-30 -67.44 -28.44 67.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.917 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.588 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.46 -23.58 13.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.891 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.0 t -135.01 93.45 17.24 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.633 0.73 . . . . 0.0 110.89 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.7 -49.9 0.52 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.387 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -62.82 -21.99 66.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.426 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.31 -84.38 0.77 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.503 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.83 -93.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.489 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' GLY . 18.6 t0 -40.25 -40.32 1.11 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' H ' HG23 ' A' ' 78' ' ' VAL . 9.1 t -55.35 -48.97 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.966 HD11 ' SD ' ' A' ' 48' ' ' MET . 79.5 mt -64.98 -59.25 4.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 52.8 t-80 -55.23 -24.37 27.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.82 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -80.07 -67.06 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.073 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -54.18 -18.29 3.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.835 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.502 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 48.5 tp -80.63 -42.53 22.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 29.9 t70 -41.49 -44.76 3.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.84 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.775 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -55.32 -38.64 48.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.106 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.429 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.3 m95 -75.3 -68.88 0.52 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.89 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.7 ptpt -42.68 -43.47 3.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.1 t -59.83 -43.74 94.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.815 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.97 -24.56 59.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.517 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . -82.36 -17.48 45.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.114 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.7 t -88.75 36.77 0.81 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.908 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 51.66 -170.01 0.42 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.81 130.53 19.43 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.698 2.266 . . . . 0.0 112.358 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.41 ' O ' ' C ' ' A' ' 95' ' ' SER . 29.6 t -118.71 123.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 94' ' ' SER . 17.8 m 37.49 42.54 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.453 -179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 m -127.05 43.29 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.872 0.367 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 t -152.06 123.73 7.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.801 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 86.01 169.98 46.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.466 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.5 t -101.45 140.56 35.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.817 -179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.4 m -82.65 87.63 6.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.796 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.97 -72.95 0.32 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.503 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.408 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.4 pp -64.04 -10.55 22.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.874 0.369 . . . . 0.0 110.915 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -47.38 -30.85 3.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -88.68 -23.06 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.408 ' N ' ' O ' ' A' ' 8' ' ' LEU . 79.6 mt -64.07 -51.03 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.433 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.6 pt-20 -50.08 -43.06 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.908 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 64.8 m -62.22 -22.03 65.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.131 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.447 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.87 -13.0 32.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 21.8 m -96.71 -10.9 25.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.433 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.2 mttt -74.61 -63.38 1.26 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.3 pt? -59.25 -26.38 64.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.949 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 14' ' ' ALA . 65.8 mt -93.26 -22.53 18.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.3 t30 60.3 41.13 16.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.493 HD12 ' NE1' ' A' ' 27' ' ' TRP . 20.3 pt -114.43 -179.01 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.8 t -88.41 137.45 32.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.153 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.96 -15.14 1.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.114 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.561 ' O ' HG23 ' A' ' 21' ' ' THR . 34.8 t0 -94.21 118.58 67.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.557 0.694 . . . . 0.0 110.835 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -32.72 18.05 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.354 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.7 mtp -71.44 -5.85 35.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.438 ' HB2' HG21 ' A' ' 21' ' ' THR . 0.9 OUTLIER -105.67 -11.97 16.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.866 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.728 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.8 m0 -46.57 110.6 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.0 OUTLIER -169.27 153.84 5.58 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.649 0.738 . . . . 0.0 110.85 -179.841 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.71 -50.54 0.18 OUTLIER 'Cis proline' 0 C--N 1.342 0.194 0 C-N-CA 122.723 -1.782 . . . . 0.0 112.379 -0.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 95.0 p -115.81 30.88 7.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -56.46 -27.53 57.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG21 HD13 ' A' ' 60' ' ' LEU . 24.2 t -51.13 -53.79 13.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -43.15 -38.94 2.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -62.58 -40.74 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.728 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.8 t90 -74.37 -20.28 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.923 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.3 mt -79.11 -61.3 2.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -53.94 -19.64 4.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 35.7 t-105 -71.92 -69.35 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.942 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.6 m -66.44 -24.67 66.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.157 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.429 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 21.8 tt0 -66.33 -23.3 66.34 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 21.6 t60 -95.73 -8.3 34.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.859 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -100.49 -18.64 16.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.734 ' CB ' HD21 ' A' ' 45' ' ' LEU . 10.7 m-85 -121.29 3.49 10.32 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.943 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? 58.4 48.37 12.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.734 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -92.1 155.58 42.82 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.555 0.693 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.25 17.08 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 101.4 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.699 2.266 . . . . 0.0 112.34 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.972 ' SD ' HD21 ' A' ' 79' ' ' LEU . 6.7 mtt -94.58 -22.35 18.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.66 -40.53 2.98 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.523 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.1 tmtt? -65.92 -36.19 82.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.807 0.337 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -79.39 -31.04 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.094 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 7.2 m-85 -102.27 8.53 40.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -54.49 -36.94 64.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.898 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -89.22 -10.27 47.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.922 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 61.2 mt -84.05 152.77 24.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.1 -179.94 5.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.5 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.21 -55.96 19.28 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.464 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -55.4 -51.43 66.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.771 0.32 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.0 mm-40 -49.77 -65.91 0.48 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD13 HG21 ' A' ' 32' ' ' VAL . 7.3 mp -38.13 -58.17 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.933 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.3 m -66.01 -25.28 67.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.485 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.96 -8.74 58.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.081 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.417 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 21.8 mtm -85.76 -175.07 5.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 65' ' ' GLU . 7.0 m -130.48 147.54 52.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 16.4 tt0 -34.46 -62.36 0.34 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.65 -43.52 26.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.5 mm-40 -59.51 -38.37 80.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 30.3 m-85 -68.26 -25.03 64.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.0 mtm180 -86.66 -20.09 28.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.827 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 51.0 mm-40 -67.87 -27.88 67.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.948 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.566 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 3.2 ptp85 -104.58 -25.36 12.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 48.0 t -131.62 94.39 25.93 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.736 0.779 . . . . 0.0 110.863 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.68 -48.3 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.245 . . . . 0.0 112.369 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.8 mt -65.89 -22.56 66.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.65 -85.11 0.99 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.482 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.41 -95.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.511 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -38.74 -45.54 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.785 0.326 . . . . 0.0 110.834 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 11.5 p -53.22 -45.83 55.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.972 HD21 ' SD ' ' A' ' 48' ' ' MET . 73.4 mt -63.68 -63.62 1.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.939 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -52.95 -26.4 14.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -78.32 -63.82 1.31 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -56.43 -13.07 1.99 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.543 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 43.1 tp -88.1 -42.7 12.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.475 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 20.1 t70 -42.79 -43.02 3.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.723 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.47 -45.61 81.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 28.4 m95 -66.26 -65.86 0.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.523 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.1 ptpt -47.54 -41.41 21.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.2 t -60.96 -40.51 93.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.35 -18.81 51.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.076 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -89.62 -18.42 26.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.9 t -84.34 32.05 0.51 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.92 145.96 16.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.48 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.83 3.06 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 95' ' ' SER . 68.9 m -113.63 -47.46 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 94' ' ' SER . 15.0 m -34.92 -55.27 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.842 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.454 -179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -45.94 109.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 0.0 110.86 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.1 p -70.01 174.95 4.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.88 -76.52 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.526 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.4 m 62.58 42.69 8.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 97.5 p -155.98 138.56 15.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.849 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 119.68 -78.66 0.31 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.482 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.666 HD23 ' H ' ' A' ' 8' ' ' LEU . 2.6 pt? -79.66 -7.13 58.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.935 0.398 . . . . 0.0 110.927 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -40.84 -33.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -93.35 -25.35 17.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.869 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.501 ' N ' ' O ' ' A' ' 8' ' ' LEU . 76.4 mt -61.36 -46.47 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.163 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -51.95 -44.03 63.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.4 m -63.71 -20.99 66.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.647 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.82 -12.93 32.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.084 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 46.3 m -96.51 -10.83 26.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.0 mttt -76.84 -63.93 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -59.18 -33.36 70.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.647 HD12 ' O ' ' A' ' 14' ' ' ALA . 53.3 mt -85.68 -24.45 27.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.402 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 17.9 t-20 62.94 36.96 12.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.1 pt -111.92 -176.66 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.512 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.6 t -90.03 147.18 23.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.135 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.98 -10.97 33.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.08 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.512 ' O ' HG23 ' A' ' 21' ' ' THR . 37.0 t0 -98.83 120.55 58.48 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -32.25 18.97 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 11.3 mtp -71.81 -5.93 37.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.421 ' CB ' HG21 ' A' ' 21' ' ' THR . 10.2 m-20 -106.7 -7.34 17.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.732 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.5 m0 -52.16 110.89 0.53 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -172.6 161.01 4.03 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.71 0.767 . . . . 0.0 110.852 -179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.75 -36.28 2.39 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.661 -1.808 . . . . 0.0 112.356 -0.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 66.6 m -130.04 35.05 4.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.47 ' ND2' ' H ' ' A' ' 28' ' ' SER . 16.2 m-20 -60.22 -35.03 74.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.93 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.418 HG21 HD13 ' A' ' 60' ' ' LEU . 38.4 t -41.91 -46.83 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.438 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.5 mm-40 -49.27 -40.7 35.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' HB3' HD22 ' A' ' 18' ' ' LEU . 13.3 mtpp -63.51 -48.3 78.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.732 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 68.8 t90 -67.65 -16.41 64.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 33' ' ' GLN . 62.2 mt -80.52 -59.39 2.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.932 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.453 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.5 pp -61.6 -19.63 62.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.937 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 15.9 t-105 -65.98 -73.24 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.513 HG23 ' CE1' ' A' ' 43' ' ' TYR . 36.0 m -65.9 -30.0 70.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.552 ' HA ' HD12 ' A' ' 45' ' ' LEU . 0.2 OUTLIER -63.37 -20.75 65.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.541 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.9 t60 -90.63 -13.54 34.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -102.01 -18.04 15.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.66 ' HB3' HD21 ' A' ' 45' ' ' LEU . 5.9 m-85 -113.3 -2.23 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? 59.81 49.59 7.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.914 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.66 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.8 OUTLIER -93.81 156.65 39.2 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.592 0.711 . . . . 0.0 110.953 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.478 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.7 Cg_endo -69.78 170.69 16.02 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.28 . . . . 0.0 112.324 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 101.92 0.97 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.682 2.255 . . . . 0.0 112.318 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.926 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -94.77 -23.57 17.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.36 -37.42 1.15 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.501 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 31.6 tttm -69.13 -38.72 78.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.882 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -76.55 -31.63 57.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.73 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.6 m-85 -101.46 4.19 41.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 49' ' ' GLY . 3.6 pt20 -49.59 -33.04 14.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.915 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -90.58 -25.48 20.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.73 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.3 mt -69.98 154.56 41.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.429 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.67 -177.05 4.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.114 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.487 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.99 -55.88 23.71 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.49 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.77 -55.04 34.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.779 0.323 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.5 mm-40 -47.45 -65.98 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.906 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD13 ' O ' ' A' ' 56' ' ' ALA . 6.0 mp -37.82 -59.23 0.84 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.408 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 1.9 t -63.07 -29.22 70.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.914 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.24 -7.65 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 22.0 mtm -87.05 177.23 7.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 67' ' ' GLN . 11.2 m -125.45 148.63 48.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 9.0 tt0 -34.43 -57.57 0.5 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -49.89 -42.37 47.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 64' ' ' SER . 27.9 mm100 -61.54 -42.2 98.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -64.58 -25.32 67.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -85.79 -21.69 28.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.8 mm-40 -68.11 -27.97 66.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.945 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.575 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.42 -25.06 12.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 40.9 t -131.71 94.57 25.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.669 0.747 . . . . 0.0 110.899 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.0 Cg_endo -69.7 -47.56 0.92 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.1 mt -68.35 -23.24 64.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -116.06 -83.16 1.03 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.513 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.35 -96.09 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.527 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -38.69 -39.42 0.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.889 0.376 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.621 HG11 HD21 ' A' ' 45' ' ' LEU . 11.0 t -57.88 -50.97 76.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.926 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.1 mt -62.29 -58.62 7.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.513 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 36.4 t-80 -54.58 -28.05 43.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -76.75 -65.19 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.074 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.425 ' HA ' HD13 ' A' ' 85' ' ' ILE . 6.9 t60 -53.63 -21.04 6.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.425 ' O ' ' N ' ' A' ' 86' ' ' TRP . 63.3 tp -77.46 -47.27 20.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.463 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 25.8 t70 -39.79 -41.38 1.11 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.838 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.646 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -57.46 -41.2 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.425 ' N ' ' O ' ' A' ' 83' ' ' LEU . 21.7 m95 -73.2 -68.17 0.51 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.3 ptpt -42.34 -40.96 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.905 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.1 t -62.9 -44.37 96.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.431 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -75.32 -22.3 57.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.12 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.73 -17.23 45.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.075 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 36.2 t -105.83 38.89 1.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.811 -179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 93.76 173.35 39.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 130.62 19.62 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.662 2.241 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -96.1 -51.38 4.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.5 m 62.51 48.31 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 t -86.4 -58.8 2.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.388 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.7 t -91.11 -57.41 2.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.86 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.03 179.24 28.58 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.489 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 m -152.88 -177.21 6.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.863 0.364 . . . . 0.0 110.853 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.7 m -56.44 179.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.833 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.95 -92.41 0.35 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.496 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.759 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.93 3.9 47.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.877 0.37 . . . . 0.0 110.926 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' N ' HD22 ' A' ' 8' ' ' LEU . 7.1 mmmm -45.93 -37.71 6.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -84.88 -27.58 26.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.844 179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.581 HD11 HG22 ' A' ' 85' ' ' ILE . 86.4 mt -63.58 -50.13 79.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.5 pt-20 -53.31 -41.06 65.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.7 m -62.76 -22.94 66.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.101 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.532 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.43 -13.33 32.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.092 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.457 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 25.4 m -95.94 -10.88 27.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 8.4 mttt -73.87 -52.71 12.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.02 -2.92 36.45 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 14' ' ' ALA . 85.9 mt -107.14 -22.48 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.966 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 53.2 t30 64.73 40.0 5.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.805 HG22 ' OD1' ' A' ' 31' ' ' ASN . 21.9 pt -122.12 -177.77 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.154 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.556 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.0 t -95.94 139.67 31.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.53 -24.62 8.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.068 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.556 ' O ' HG23 ' A' ' 21' ' ' THR . 36.6 t0 -85.72 119.78 72.3 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.554 0.692 . . . . 0.0 110.86 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.525 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.71 -32.42 18.8 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.69 2.26 . . . . 0.0 112.375 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.8 mtp -72.86 -5.75 40.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.505 ' CB ' HG21 ' A' ' 21' ' ' THR . 6.6 m-20 -105.45 -9.31 17.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.0 m0 -48.72 104.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.541 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.1 t -159.82 153.67 19.47 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.716 0.769 . . . . 0.0 110.832 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -48.4 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.347 -0.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.9 p -121.44 42.12 3.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.805 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.0 m-80 -63.51 -26.71 68.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.529 HG21 HD13 ' A' ' 60' ' ' LEU . 39.5 t -51.22 -45.84 32.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.103 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.456 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 82.8 mm-40 -50.89 -38.39 49.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.893 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.2 mtpp -66.29 -47.2 74.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 62.3 t90 -65.24 -20.63 66.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 81.1 mt -80.57 -68.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -46.02 -22.84 0.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 60.0 t-105 -68.35 -73.25 0.15 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.46 HG23 ' CE1' ' A' ' 43' ' ' TYR . 9.8 m -68.05 -17.69 64.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.555 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.8 tt0 -68.47 -27.29 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.501 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.9 t60 -91.55 -17.71 25.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -89.28 -18.71 26.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.7 m-85 -117.81 3.36 12.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? 57.48 47.21 16.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.87 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.3 mt -91.64 155.59 43.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.588 0.709 . . . . 0.0 110.938 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.44 16.57 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.347 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.76 100.61 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.673 2.249 . . . . 0.0 112.394 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.584 ' HE1' HD13 ' A' ' 45' ' ' LEU . 4.3 mtt -95.06 -22.04 18.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.46 -38.4 1.43 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.462 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.413 ' C ' ' HD3' ' A' ' 50' ' ' LYS . 14.2 tmtt? -70.79 -35.96 72.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.836 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.91 -27.01 49.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.129 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.647 ' CD2' HD12 ' A' ' 55' ' ' LEU . 5.9 m-85 -107.29 1.39 23.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 2.6 pt20 -47.58 -36.23 10.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.871 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -87.86 -23.0 24.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.935 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.647 HD12 ' CD2' ' A' ' 52' ' ' PHE . 78.4 mt -71.92 153.11 42.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.92 177.84 6.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.511 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -49.12 -55.45 12.08 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.484 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -59.42 4.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.699 0.285 . . . . 0.0 110.901 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.4 mm-40 -41.48 -65.28 0.46 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.949 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.529 HD13 HG21 ' A' ' 32' ' ' VAL . 6.8 mp -38.49 -60.59 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 7.4 m -63.63 -25.76 68.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.0 -11.3 57.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 27.4 mtm -84.05 -175.1 5.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -129.68 147.63 51.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.448 ' C ' ' O ' ' A' ' 64' ' ' SER . 19.9 tt0 -34.4 -56.85 0.51 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -52.33 -41.52 63.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.8 mm-40 -58.08 -47.46 83.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -60.46 -25.92 66.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 34.9 mtp180 -85.88 -20.66 28.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.866 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 36.9 mm-40 -68.91 -27.58 65.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.556 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.32 -28.02 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.828 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.419 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 22.4 t -130.96 96.0 23.85 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.667 0.746 . . . . 0.0 110.863 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.3 Cg_endo -69.77 -49.17 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.741 2.294 . . . . 0.0 112.299 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.1 mt -64.12 -23.17 67.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.48 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -118.53 -86.84 1.11 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.472 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 49.07 -92.88 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' GLY . 7.2 t0 -38.99 -49.86 1.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.853 0.358 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.613 HG21 HD11 ' A' ' 45' ' ' LEU . 7.6 p -44.33 -48.39 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.526 ' N ' HG13 ' A' ' 78' ' ' VAL . 96.5 mt -62.12 -70.76 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.1 t-80 -46.64 -26.27 0.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.12 -67.43 0.73 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.131 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -58.77 -13.9 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.514 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 47.8 tp -85.27 -42.09 14.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 39.9 t0 -43.74 -43.61 6.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.716 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.39 -39.87 63.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.491 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.1 m95 -71.93 -65.81 0.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.945 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -47.34 -43.29 22.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.1 t -57.35 -44.87 84.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.623 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -74.65 -25.08 58.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.133 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -85.37 -17.69 35.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.4 t -86.44 33.8 0.63 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 85.55 172.74 49.18 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.442 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 116.18 4.44 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.733 2.288 . . . . 0.0 112.379 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.8 p -158.11 146.14 18.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 62.2 p -79.57 -45.17 19.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.544 179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m -101.73 139.64 37.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.875 0.369 . . . . 0.0 110.889 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -143.65 154.62 43.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.26 104.35 1.1 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.547 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.0 m -144.86 123.71 12.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.853 0.359 . . . . 0.0 110.872 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.7 p -71.79 171.81 10.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.11 -93.26 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.733 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.6 3.95 48.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.903 0.382 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' N ' HD22 ' A' ' 8' ' ' LEU . 7.2 mmpt? -52.65 -30.85 33.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.911 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -90.29 -20.01 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 93.6 mt -70.74 -48.67 56.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.186 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.452 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.8 pt-20 -52.75 -43.0 65.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.876 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.435 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 90.7 m -58.67 -24.53 61.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.13 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.89 -13.16 31.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.102 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.1 m -96.83 -11.05 25.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.2 mttt -71.73 -56.13 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.893 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.433 HD23 ' H ' ' A' ' 17' ' ' LEU . 2.4 pt? -67.83 -37.02 81.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 34' ' ' LYS . 89.8 mt -81.81 -12.98 58.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.952 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 46.7 t30 50.74 50.68 18.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.468 HD12 ' NE1' ' A' ' 27' ' ' TRP . 35.5 pt -123.94 -175.87 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.548 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.2 t -92.87 139.97 29.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.112 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.05 -22.06 25.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.085 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.541 ' O ' HG23 ' A' ' 21' ' ' THR . 40.3 t0 -86.88 120.23 71.54 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.597 0.713 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.8 Cg_endo -69.78 -32.32 18.73 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.33 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.1 mtp -71.94 -5.75 37.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.879 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.548 ' CB ' HG21 ' A' ' 21' ' ' THR . 36.3 m-20 -104.73 -9.91 17.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 32.9 m0 -50.25 104.09 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.959 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.536 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.4 p -162.53 154.7 15.96 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.655 0.74 . . . . 0.0 110.861 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.536 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.5 Cg_endo -69.75 -50.79 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 -1.791 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 74.0 m -118.18 37.19 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -60.35 -29.74 69.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.48 HG21 HD13 ' A' ' 60' ' ' LEU . 46.0 t -47.18 -50.04 7.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -44.73 -37.36 3.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -66.17 -50.82 62.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.2 t90 -63.89 -16.73 62.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.897 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 76.5 mt -82.94 -68.7 0.68 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.53 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.0 pp -48.1 -24.86 1.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.53 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -63.53 -72.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.534 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -65.53 -31.08 71.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -55.16 -31.29 61.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 8.3 t60 -88.37 -12.95 41.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -97.42 -11.1 24.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.791 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -125.87 -0.76 7.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.898 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 62.31 40.95 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.895 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.791 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.9 mt -86.51 155.03 56.85 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.938 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 170.04 17.48 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.717 2.278 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 101.64 0.94 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.628 2.219 . . . . 0.0 112.315 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.856 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.0 mtt -93.61 -25.74 17.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.911 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -38.88 -37.21 0.57 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.48 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -69.49 -37.92 77.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.55 -30.74 47.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.65 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.4 m-85 -100.21 3.34 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.419 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 7.0 pt20 -48.92 -36.01 16.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.948 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.419 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 3.4 pt-20 -89.35 -22.38 22.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.911 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.65 HD12 ' CD2' ' A' ' 52' ' ' PHE . 80.3 mt -72.52 151.23 42.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.21 175.7 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.107 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -47.51 -58.23 6.8 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.527 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.436 ' CG ' ' N ' ' A' ' 59' ' ' GLU . 8.4 ptpp? -52.7 -54.12 38.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.74 0.305 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 58' ' ' LYS . 7.2 mm-40 -48.95 -59.52 3.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -41.11 -58.52 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.92 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.1 t -65.0 -28.18 69.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.888 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -80.96 -12.84 59.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.2 mtm -81.71 -176.47 6.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.485 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -132.48 147.53 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.531 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 9.8 tt0 -34.19 -58.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -51.48 -41.57 61.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' SER . 36.0 mm-40 -60.55 -42.65 97.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.888 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -63.95 -25.48 68.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 43.2 mtp180 -85.9 -22.19 27.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -66.97 -28.46 68.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.558 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.43 -24.85 13.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.905 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.422 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 4.6 t -134.78 94.58 16.52 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.669 0.747 . . . . 0.0 110.909 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.7 Cg_endo -69.73 -47.1 1.01 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.688 2.259 . . . . 0.0 112.353 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -65.17 -22.38 66.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.491 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.8 -85.89 0.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.4 -89.93 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.507 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 75' ' ' GLY . 10.3 t0 -40.69 -39.3 1.05 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HD11 ' A' ' 45' ' ' LEU . 12.4 t -55.36 -56.44 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.856 HD11 ' SD ' ' A' ' 48' ' ' MET . 72.0 mt -56.48 -58.7 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.531 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.1 t-80 -52.64 -29.25 25.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.839 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.57 -67.6 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -53.57 -20.1 4.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.818 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.481 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 52.9 tp -78.92 -41.5 29.34 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.908 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.411 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 12.3 t70 -42.99 -46.08 5.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.75 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.3 mp -53.71 -39.81 40.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.13 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 22.8 m95 -72.97 -68.86 0.45 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.443 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.8 ptpt -43.6 -43.55 5.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.4 t -60.04 -44.83 94.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.85 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.04 -27.43 61.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.095 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -84.21 -17.04 41.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -84.29 35.68 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 96.82 -158.81 21.43 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.477 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -1.58 8.72 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.691 2.261 . . . . 0.0 112.315 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.5 p 58.92 43.97 17.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.824 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.3 t -47.49 137.87 8.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.538 179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -125.91 115.78 20.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.0 110.86 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.5 p -47.61 152.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.875 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.65 134.62 16.67 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.6 p -106.78 159.19 16.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 110.849 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 t -53.53 150.94 6.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.832 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.99 -71.25 0.32 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.4 pp -80.86 -14.03 58.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.895 0.379 . . . . 0.0 110.931 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.0 mmmt -46.25 -27.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -91.13 -26.37 19.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.873 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.428 ' N ' ' O ' ' A' ' 8' ' ' LEU . 88.1 mt -63.23 -49.11 84.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.465 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.3 pt-20 -51.42 -39.79 58.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 13.6 m -64.41 -22.27 66.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.107 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.02 -12.87 32.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.082 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 60.4 m -96.64 -12.06 24.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.465 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.6 mttt -71.47 -52.55 17.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.416 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.7 pt? -68.67 -31.82 71.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.3 mt -86.5 -22.06 26.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 45.0 t30 62.69 41.73 8.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.444 HD12 ' NE1' ' A' ' 27' ' ' TRP . 25.7 pt -117.79 -175.81 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.2 t -93.9 139.28 31.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.12 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.11 -24.78 18.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.567 ' O ' HG23 ' A' ' 21' ' ' THR . 50.3 t0 -85.26 120.77 73.67 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.583 0.706 . . . . 0.0 110.86 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.52 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.82 -32.8 17.64 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.357 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.4 mtp -70.96 -5.75 33.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.54 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.1 m-20 -106.03 -7.69 17.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.861 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.731 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.1 m0 -51.95 104.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.3 p -161.95 154.86 17.14 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.648 0.737 . . . . 0.0 110.878 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.69 -51.0 0.16 OUTLIER 'Cis proline' 0 C--O 1.231 0.163 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.351 -0.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 79.7 p -118.13 36.66 4.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -59.48 -29.77 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 42.4 t -47.39 -47.57 10.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.183 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -46.77 -40.87 14.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.96 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.0 mtpp -63.55 -49.53 73.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.731 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -63.24 -23.69 67.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.3 mt -78.28 -71.91 0.4 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.926 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.6 pp -44.69 -26.22 0.36 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.496 ' N ' HD12 ' A' ' 37' ' ' LEU . 25.7 t-105 -61.16 -73.36 0.1 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.589 HG22 ' CD1' ' A' ' 43' ' ' TYR . 7.2 m -67.45 -35.38 79.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.106 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.451 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.8 tt0 -50.06 -31.38 12.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.6 t60 -88.02 -17.99 29.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -91.29 -13.33 32.85 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.932 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.79 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.6 m-85 -120.9 -3.09 9.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 -179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 64.15 43.57 4.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD11 HG11 ' A' ' 78' ' ' VAL . 1.4 mt -90.58 156.17 45.44 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.59 0.709 . . . . 0.0 110.948 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.407 ' HG3' HD12 ' A' ' 74' ' ' LEU . 53.4 Cg_endo -69.75 170.24 17.04 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.305 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 98.36 0.68 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.662 2.241 . . . . 0.0 112.335 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 79' ' ' LEU . 12.3 mtt -89.92 -25.53 20.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.82 -47.75 5.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.459 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.3 tptt -58.81 -31.96 68.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.81 0.338 . . . . 0.0 110.886 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -89.69 -20.34 23.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' A' ' 55' ' ' LEU . 22.7 m-85 -106.37 5.51 29.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' GLY . 5.4 mt-30 -53.76 -38.16 64.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.935 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -83.81 -18.01 39.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.937 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' A' ' 52' ' ' PHE . 88.9 mt -79.2 153.28 30.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.451 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -132.11 -178.65 4.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.06 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.476 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -52.79 -55.56 22.7 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.489 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -55.03 -53.71 52.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 110.896 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 10.3 mm-40 -49.61 -65.67 0.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.49 -57.74 0.91 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.64 -27.67 68.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.03 -12.42 57.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.091 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 59' ' ' GLU . 22.5 mtm -82.3 -179.36 7.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 67' ' ' GLN . 17.6 m -130.31 150.97 51.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.478 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 15.6 tt0 -34.31 -61.95 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -48.49 -42.2 32.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.6 mm-40 -59.22 -45.36 91.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.455 ' HD2' HD12 ' A' ' 79' ' ' LEU . 31.8 m-85 -63.12 -27.23 69.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -83.28 -20.31 34.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -68.57 -27.01 65.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.901 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.551 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 1.3 ptp85 -104.59 -29.81 10.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.5 t -131.5 96.03 22.27 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.653 0.739 . . . . 0.0 110.896 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -49.76 0.54 Allowed 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.719 2.28 . . . . 0.0 112.353 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.407 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.3 mt -61.13 -22.46 64.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.33 -85.55 0.77 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.6 -88.35 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.446 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -41.47 -41.34 2.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.879 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.84 HG11 HD11 ' A' ' 45' ' ' LEU . 22.5 t -50.21 -53.32 11.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 48' ' ' MET . 84.0 mt -60.14 -57.72 11.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.868 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.478 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.4 t-80 -55.37 -24.61 30.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.838 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.9 -67.41 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.469 ' HA ' HD13 ' A' ' 85' ' ' ILE . 3.0 t-80 -57.51 -18.02 16.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.836 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.466 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 58.8 tp -80.32 -40.96 25.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -46.17 -36.87 6.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.712 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -61.85 -37.63 78.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 23.9 m95 -75.81 -65.39 0.91 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.0 ptpt -47.08 -41.53 17.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.1 t -61.92 -44.91 95.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.845 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -76.24 -18.29 59.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -92.16 -18.98 22.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.088 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.0 t -104.62 40.93 1.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 87.23 -156.45 28.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 173.87 10.38 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.338 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.8 t -109.37 -59.18 1.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m 49.35 40.28 18.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.903 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.48 179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.8 t -171.02 158.53 5.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -118.97 -50.83 2.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.62 72.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.538 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.7 t -131.52 159.77 37.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 110.824 -179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -53.68 172.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.822 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.22 -94.53 0.38 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.47 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.752 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -99.05 3.35 46.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.894 0.378 . . . . 0.0 110.896 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' N ' HD22 ' A' ' 8' ' ' LEU . 25.6 mmmt -45.6 -34.96 3.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.915 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -87.98 -26.91 22.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.493 HD11 HG22 ' A' ' 85' ' ' ILE . 85.0 mt -63.74 -48.85 84.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.444 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.0 OUTLIER -55.83 -37.93 69.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 92.2 m -65.32 -21.75 66.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.142 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.91 -12.95 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.2 m -96.64 -10.88 26.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.945 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.444 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 9.6 mttt -72.3 -49.45 34.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.918 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.1 pt? -73.17 -37.26 66.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.411 ' N ' ' HG ' ' A' ' 17' ' ' LEU . 86.6 mt -78.88 -22.24 46.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.911 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 19.8 t-20 62.41 40.84 10.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.783 HG22 ' OD1' ' A' ' 31' ' ' ASN . 27.5 pt -114.35 -175.93 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.135 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.7 t -94.35 132.96 38.43 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.154 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.5 -28.97 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -81.75 119.0 74.31 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.711 . . . . 0.0 110.881 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.75 -31.97 19.53 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.677 2.252 . . . . 0.0 112.315 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 10.8 mtp -72.18 -5.69 37.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.878 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.96 -9.19 17.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.885 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.751 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.6 m0 -48.54 98.9 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.928 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.539 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.0 p -158.22 155.16 25.41 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.666 0.746 . . . . 0.0 110.858 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.539 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.8 -49.62 0.22 Allowed 'Cis proline' 0 C--N 1.342 0.195 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.338 -0.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.9 t -118.21 43.0 2.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.783 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.2 m-80 -68.38 -24.56 64.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.919 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 36.0 t -53.6 -52.22 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.115 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 66.2 mm-40 -43.22 -41.56 3.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -61.73 -54.0 48.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.751 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 63.1 t90 -60.4 -26.24 66.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.891 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 89.3 mt -73.85 -70.87 0.36 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.915 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 pp -47.66 -24.36 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.952 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 39.1 t-105 -64.33 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.521 HG21 ' CG ' ' A' ' 82' ' ' HIS . 5.5 m -66.84 -25.91 66.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.118 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' HA ' HD12 ' A' ' 45' ' ' LEU . 4.3 tt0 -60.32 -26.12 66.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.906 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.522 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 9.1 t60 -93.92 -14.26 26.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.863 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -92.7 -13.28 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.755 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -123.36 0.9 8.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 61.91 45.23 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.755 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.2 mt -90.79 156.0 45.04 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.587 0.708 . . . . 0.0 110.897 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 170.42 16.71 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.701 2.267 . . . . 0.0 112.278 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 97.14 0.62 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.712 2.274 . . . . 0.0 112.332 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.654 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.1 mtt -90.74 -27.03 19.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.829 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.38 -41.53 1.59 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.73 -35.09 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.776 0.322 . . . . 0.0 110.901 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -83.26 -15.82 48.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.091 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.557 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 7.2 m-85 -111.78 12.1 20.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -58.84 -35.66 73.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.917 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -91.02 11.95 21.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 HD12 ' CD2' ' A' ' 52' ' ' PHE . 98.8 mt -110.9 153.32 25.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.458 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -131.02 -177.93 4.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.059 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.493 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -53.35 -50.69 51.52 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.496 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.09 -57.47 12.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.752 0.31 . . . . 0.0 110.928 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.6 mm-40 -43.66 -66.43 0.38 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.458 HD13 ' O ' ' A' ' 56' ' ' ALA . 9.3 mp -37.35 -57.75 0.88 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.8 m -65.16 -27.98 69.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.889 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -82.37 -11.43 58.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.7 mtm -82.13 -175.68 5.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.489 ' O ' ' N ' ' A' ' 67' ' ' GLN . 10.5 m -130.83 146.97 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.907 -179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.9 tt0 -33.5 -58.99 0.4 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.904 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.28 -42.51 52.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.489 ' N ' ' O ' ' A' ' 64' ' ' SER . 8.1 mm-40 -57.53 -49.33 76.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -58.79 -26.93 64.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.895 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -85.21 -22.22 28.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -67.27 -26.96 66.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.557 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -29.08 10.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.7 t -132.03 96.81 19.32 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.709 0.766 . . . . 0.0 110.864 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -50.44 0.47 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.7 2.266 . . . . 0.0 112.345 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.06 -23.35 65.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.492 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.09 -86.81 1.06 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.54 -89.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.535 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.492 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.2 p-10 -41.16 -41.49 1.81 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.886 0.374 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 14.3 t -55.48 -46.08 78.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 HD21 ' SD ' ' A' ' 48' ' ' MET . 74.3 mt -62.36 -70.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.931 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -46.5 -23.88 0.44 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.838 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.38 -67.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.096 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.521 ' CG ' HG21 ' A' ' 39' ' ' THR . 2.9 t-80 -56.26 -14.32 2.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.519 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 47.6 tp -85.6 -40.0 16.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.928 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -44.76 -45.81 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.845 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.766 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -54.11 -38.22 37.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.117 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.451 ' HA ' HD13 ' A' ' 11' ' ' ILE . 26.3 m95 -73.94 -67.9 0.56 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.498 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 6.5 ptpt -46.91 -41.05 15.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.3 t -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.48 ' HB1' HD12 ' A' ' 8' ' ' LEU . . . -76.03 -26.26 56.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.118 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.0 -21.38 31.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.119 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 33.4 t -101.16 40.8 1.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.87 -179.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 83.06 152.46 11.82 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.471 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 139.44 40.31 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.681 2.254 . . . . 0.0 112.335 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.2 m -116.3 -47.89 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 t -125.39 102.7 7.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.523 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.9 p -145.2 132.51 20.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -120.26 134.88 55.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.857 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.38 85.41 0.18 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.499 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.2 m -168.09 129.25 1.38 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.855 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 t -44.81 145.86 0.87 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.826 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 122.64 -87.17 0.39 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.508 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.1 pp -66.08 -17.35 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.902 0.382 . . . . 0.0 110.895 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.4 mmmt -43.91 -31.13 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.98 -27.61 21.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.473 HD13 ' HA ' ' A' ' 86' ' ' TRP . 77.6 mt -60.59 -50.98 78.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.131 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.467 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -56.36 -40.88 75.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 74.6 m -59.08 -24.45 62.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.123 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.628 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.75 -12.93 32.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.142 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 34.5 m -96.57 -10.94 26.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.917 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.4 mttt -74.41 -45.93 43.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.75 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.3 -4.81 57.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.628 HD12 ' O ' ' A' ' 14' ' ' ALA . 96.4 mt -107.54 -20.8 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 64.79 35.34 8.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 pt -115.58 -179.48 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.0 t -95.79 136.35 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -31.67 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.587 ' O ' HG23 ' A' ' 21' ' ' THR . 29.7 t0 -79.62 120.52 80.47 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.589 0.709 . . . . 0.0 110.894 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.536 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.3 Cg_endo -69.78 -32.75 17.87 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.702 2.268 . . . . 0.0 112.306 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.1 mtp -71.53 -5.38 32.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.848 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.554 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -105.95 -8.47 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.735 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.1 m0 -50.65 105.52 0.1 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.542 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 33.7 p -161.59 153.74 16.52 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.695 0.759 . . . . 0.0 110.861 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.542 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.1 Cg_endo -69.73 -51.03 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.347 -0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.8 p -117.74 39.3 3.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.414 ' HB2' ' CA ' ' A' ' 27' ' ' TRP . 28.5 m-20 -61.34 -27.63 68.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.506 HG21 HD13 ' A' ' 60' ' ' LEU . 38.3 t -49.96 -48.97 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.07 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 -46.66 -40.36 13.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.428 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 12.5 mtpt -63.62 -51.97 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.735 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 60.8 t90 -61.17 -24.91 66.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.921 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 86.7 mt -75.89 -68.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.522 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.3 pp -48.11 -23.95 0.98 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.93 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.43 ' N ' HD12 ' A' ' 37' ' ' LEU . 58.4 t-105 -63.93 -73.37 0.12 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.928 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.2 m -66.87 -31.83 72.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.156 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -53.49 -30.63 42.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.0 t60 -88.52 -13.4 40.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -93.96 -14.86 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.811 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.41 0.34 9.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 60.94 43.13 12.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.811 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.8 mt -87.23 155.7 54.6 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.649 0.738 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.38 16.77 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.628 2.219 . . . . 0.0 112.362 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 99.69 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.744 2.296 . . . . 0.0 112.309 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.941 ' SD ' HD11 ' A' ' 79' ' ' LEU . 11.6 mtt -91.25 -27.86 18.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.844 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 53' ' ' GLN . . . -39.17 -46.17 2.45 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.444 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 33.1 tptt -59.17 -36.4 75.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.802 0.334 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -84.88 -23.05 29.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.754 ' CD2' HD12 ' A' ' 55' ' ' LEU . 6.3 m-85 -104.66 12.37 32.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 49' ' ' GLY . 5.9 mt-30 -58.99 -35.75 73.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.949 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -87.42 -17.11 33.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.754 HD12 ' CD2' ' A' ' 52' ' ' PHE . 54.7 mt -76.17 161.07 29.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.935 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -142.02 175.13 9.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -46.04 -53.55 8.96 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.518 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.7 ptpt -58.55 -56.64 19.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.786 0.327 . . . . 0.0 110.9 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.49 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.1 mt-10 -45.08 -67.39 0.29 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD13 HG21 ' A' ' 32' ' ' VAL . 5.3 mp -36.51 -60.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 1.8 t -62.5 -29.29 70.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.49 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.48 -11.99 59.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 23.5 mtm -82.94 179.08 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.466 ' O ' ' N ' ' A' ' 67' ' ' GLN . 14.9 m -128.77 149.73 50.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.8 tt0 -34.12 -58.62 0.45 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 31.8 mm-40 -49.85 -42.96 48.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 64' ' ' SER . 5.9 mm-40 -59.23 -44.58 92.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 28.7 m-85 -63.58 -26.44 68.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 49.7 mtp180 -86.11 -20.83 28.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.805 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 30.9 mm-40 -70.14 -24.59 63.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.565 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -104.35 -30.16 10.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 43.2 t -134.92 99.1 12.66 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.645 0.736 . . . . 0.0 110.875 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.4 Cg_endo -69.75 -45.94 1.41 Allowed 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.655 2.237 . . . . 0.0 112.346 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -62.81 -23.08 67.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.59 -87.91 0.94 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.492 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.3 -88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.485 ' N ' ' O ' ' A' ' 75' ' ' GLY . 41.5 t0 -44.07 -36.99 2.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.869 0.366 . . . . 0.0 110.835 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.553 HG11 HD11 ' A' ' 45' ' ' LEU . 24.5 t -57.19 -55.36 21.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.097 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.941 HD11 ' SD ' ' A' ' 48' ' ' MET . 52.8 mt -58.48 -57.56 12.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.49 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.1 t-80 -54.76 -24.6 23.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.807 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -82.91 -67.42 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.121 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -54.84 -14.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.547 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 53.1 tp -84.32 -42.68 15.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -42.55 -44.51 4.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -55.09 -39.42 50.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.473 ' HA ' HD13 ' A' ' 11' ' ' ILE . 21.2 m95 -72.97 -68.03 0.52 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.4 ptpt -45.26 -42.11 9.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.2 t -60.67 -44.38 96.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.85 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -73.81 -26.05 60.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.09 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.418 ' HB1' ' CG ' ' A' ' 23' ' ' ASP . . . -82.44 -17.21 46.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.101 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.5 t -89.05 38.26 0.88 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 72.46 -164.13 54.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.468 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 140.48 42.72 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.6 m -121.93 101.31 7.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 46.4 t -78.58 104.21 9.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.959 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.504 -0.239 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -173.85 165.22 4.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 110.867 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.7 p -64.82 157.17 28.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.832 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.39 170.99 13.51 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.516 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.3 p -151.76 171.84 17.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.898 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.3 m -63.02 175.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.73 -66.72 2.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.477 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.482 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.4 pp -65.45 -13.87 59.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.878 0.37 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -43.94 -28.68 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -90.68 -27.07 19.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.9 mt -59.74 -52.78 57.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.083 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -54.27 -40.24 67.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.6 m -55.47 -28.77 56.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.171 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.435 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.02 -12.33 33.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.102 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.47 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 27.9 m -94.67 -10.65 31.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.1 mttm -73.15 -49.65 27.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.661 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -77.48 -4.97 48.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.961 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.51 ' N ' HD13 ' A' ' 17' ' ' LEU . 84.5 mt -109.59 -15.07 14.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 54.1 t30 56.17 45.05 24.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.859 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 pt -123.66 178.76 3.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.627 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -93.44 132.94 37.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.152 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -47.16 -27.2 1.35 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.079 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.575 ' O ' HG23 ' A' ' 21' ' ' THR . 41.3 t0 -82.61 120.68 77.1 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.629 0.728 . . . . 0.0 110.838 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.82 15.69 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.665 2.243 . . . . 0.0 112.345 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.427 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 15.6 mtp -69.57 -5.62 25.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.87 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.627 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.3 m-20 -107.47 -3.66 19.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.73 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.5 m0 -56.19 105.65 0.21 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.94 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.497 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -166.44 160.43 12.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.704 0.764 . . . . 0.0 110.83 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.3 Cg_endo -69.83 -38.28 1.69 Allowed 'Cis proline' 0 C--N 1.342 0.204 0 C-N-CA 122.698 -1.792 . . . . 0.0 112.261 0.026 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 41.0 m -127.81 35.78 4.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.852 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -61.01 -35.79 77.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.923 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.53 HG21 HD13 ' A' ' 60' ' ' LEU . 25.1 t -41.66 -49.15 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.175 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.414 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 mm-40 -49.86 -36.4 26.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mtpp -65.41 -48.79 71.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.73 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.3 t90 -67.79 -15.22 63.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 33' ' ' GLN . 80.9 mt -82.82 -70.59 0.54 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 pp -47.96 -23.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 50.1 t-105 -63.39 -73.27 0.12 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.608 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.4 m -68.95 -34.51 75.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.141 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' CD ' ' O ' ' A' ' 46' ' ' PRO . 3.1 tt0 -52.72 -21.41 4.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.462 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 15.7 t60 -97.46 -16.08 20.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.2 mt-30 -90.57 -25.34 20.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.84 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.3 m-85 -108.85 -0.43 19.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.419 ' HD2' ' N ' ' A' ' 44' ' ' ARG . 1.2 mpt_? 63.57 43.6 5.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.84 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -89.87 156.52 47.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.929 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.453 ' O ' ' CD ' ' A' ' 40' ' ' GLU . 53.4 Cg_endo -69.79 170.58 16.3 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.684 2.256 . . . . 0.0 112.319 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 99.98 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.637 2.225 . . . . 0.0 112.362 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.909 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.7 mtt -92.05 -26.22 18.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -40.48 -46.79 3.67 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.455 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.465 ' HD2' ' NE2' ' A' ' 53' ' ' GLN . 18.3 tptp -62.49 -32.61 73.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.787 0.327 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -86.95 -18.92 29.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.087 179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.668 ' CD2' HD12 ' A' ' 55' ' ' LEU . 11.2 m-85 -108.95 8.79 26.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.465 ' NE2' ' HD2' ' A' ' 50' ' ' LYS . 7.6 mt-30 -54.3 -41.89 69.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -80.46 -19.3 46.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.668 HD12 ' CD2' ' A' ' 52' ' ' PHE . 91.0 mt -78.23 150.55 33.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.447 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -129.68 -176.06 3.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.093 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.519 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.35 -52.07 50.07 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.498 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 3.4 ptpt -58.62 -54.59 45.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.725 0.298 . . . . 0.0 110.905 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.6 mm-40 -47.84 -66.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.867 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.78 -57.32 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.911 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.427 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 8.4 t -65.27 -27.85 68.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.884 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.82 -9.93 58.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.095 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 25.1 mtm -84.31 -179.99 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.48 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.1 m -128.55 148.94 50.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.883 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.526 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 8.2 tt0 -33.91 -58.04 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.868 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.64 -42.62 56.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.881 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 64' ' ' SER . 78.1 mm-40 -60.39 -43.79 96.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 44.4 m-85 -63.34 -24.54 67.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 42.6 mtp180 -86.53 -23.23 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.73 -28.81 69.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.544 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.32 13.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.864 -179.869 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.427 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 12.8 t -134.78 93.65 17.64 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 121.669 0.747 . . . . 0.0 110.863 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.8 Cg_endo -69.77 -50.87 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.628 2.219 . . . . 0.0 112.343 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.37 -23.2 65.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -119.95 -83.92 0.83 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.475 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.99 -91.66 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.467 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -38.56 -41.79 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.81 0.338 . . . . 0.0 110.863 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.413 ' H ' HG23 ' A' ' 78' ' ' VAL . 6.1 t -55.71 -56.48 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.909 HD11 ' SD ' ' A' ' 48' ' ' MET . 35.7 mt -55.33 -63.14 1.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.526 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 53.5 t-80 -49.71 -26.14 3.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.835 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -79.45 -67.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.116 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.12 -19.29 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.83 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.512 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 66.9 tp -80.76 -43.94 19.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.896 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.415 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 13.3 t70 -41.55 -46.73 3.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.797 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -53.82 -38.8 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.145 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.47 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 18.9 m95 -74.25 -68.82 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' CD ' ' HA ' ' A' ' 84' ' ' ASP . 4.8 ptpt -43.11 -44.61 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.0 t -58.54 -46.26 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.482 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -71.98 -29.19 63.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.29 -17.56 54.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.124 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 12.6 t -90.42 38.09 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 89.14 170.84 45.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.498 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -17.02 37.98 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.663 2.242 . . . . 0.0 112.357 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.5 t -70.79 147.99 48.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 40.9 t -89.46 147.65 23.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 t -89.71 -52.74 4.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.901 0.382 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.6 t -74.44 -51.26 15.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.54 -78.32 0.29 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.471 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 p -164.54 165.42 21.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.823 0.345 . . . . 0.0 110.888 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.2 m -82.44 172.22 13.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.817 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.65 -91.29 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.497 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.735 ' H ' HD13 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -98.63 3.78 47.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.914 0.387 . . . . 0.0 110.96 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' N ' HD22 ' A' ' 8' ' ' LEU . 9.4 mmpt? -52.08 -32.66 35.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.15 -20.93 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 89.1 mt -70.78 -47.43 63.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.133 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.0 pt-20 -54.0 -43.31 69.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.411 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 64.8 m -57.21 -24.85 57.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.72 -12.98 32.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.066 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 62.8 m -96.83 -11.15 25.25 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 11.5 mttt -72.77 -54.36 9.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 17' ' ' LEU . 1.9 pt? -70.45 -34.85 72.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 34' ' ' LYS . 80.6 mt -81.04 -24.69 37.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.407 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 25.9 t-20 63.47 35.15 12.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 pt -108.48 -179.87 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.581 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -91.04 132.74 35.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.12 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.22 -24.19 1.65 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.581 ' O ' HG23 ' A' ' 21' ' ' THR . 42.1 t0 -84.8 119.65 72.97 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.622 0.725 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.76 -32.62 18.19 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.354 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.2 mtp -70.97 -5.78 33.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.498 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.2 m-20 -108.4 -4.03 17.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 27.5 m0 -54.62 107.92 0.34 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.885 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.489 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.6 m -169.23 160.42 7.7 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.677 0.751 . . . . 0.0 110.867 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.489 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.6 Cg_endo -69.8 -44.69 0.48 Allowed 'Cis proline' 0 C--N 1.342 0.191 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.325 -0.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -121.85 33.73 5.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -59.91 -37.67 80.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.934 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.43 HG21 HD13 ' A' ' 60' ' ' LEU . 23.4 t -39.63 -45.26 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.094 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 91.4 mm-40 -50.61 -41.28 54.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HB3' HD22 ' A' ' 18' ' ' LEU . 9.4 mtpp -61.59 -51.49 68.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.886 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.7 t90 -62.3 -21.58 65.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 90.6 mt -81.12 -69.25 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -48.9 -20.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 19.4 t-105 -68.33 -73.31 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.935 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' CD1' ' A' ' 43' ' ' TYR . 8.0 m -66.11 -33.37 75.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.157 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.522 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.7 tt0 -50.36 -33.89 22.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.919 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -85.54 -17.41 36.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -89.11 -17.12 29.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.797 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -120.37 2.15 10.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 23.7 mmt-85 58.8 47.45 12.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.797 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -92.74 156.84 40.55 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.606 0.717 . . . . 0.0 110.946 179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 170.69 15.95 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.327 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 96.94 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.721 2.28 . . . . 0.0 112.328 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.594 ' HE1' HD13 ' A' ' 45' ' ' LEU . 5.1 mtt -90.84 -26.46 19.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.27 -46.11 4.26 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.526 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 tptt -62.83 -31.67 72.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.794 0.33 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -88.41 -17.63 30.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.606 ' CD2' HD12 ' A' ' 55' ' ' LEU . 13.1 m-85 -109.06 3.25 21.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' GLY . 4.6 mt-30 -51.47 -42.27 61.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -77.77 -20.45 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.636 HD11 ' NE ' ' A' ' 71' ' ' ARG . 97.7 mt -79.39 152.29 30.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.404 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -130.19 -176.45 3.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.107 179.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.465 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -54.2 -56.22 22.51 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.477 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.5 ptpp? -55.64 -54.06 48.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.711 0.291 . . . . 0.0 110.888 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 62' ' ' ALA . 52.6 mm-40 -48.92 -65.07 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.843 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.548 HD12 ' HB3' ' A' ' 55' ' ' LEU . 5.9 mp -40.08 -56.87 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.0 t -65.65 -26.26 67.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.1 -11.23 55.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.061 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.0 mtm -81.79 177.14 9.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 1.4 m -123.22 149.13 45.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.455 ' C ' ' O ' ' A' ' 64' ' ' SER . 22.0 tt0 -33.96 -57.7 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -53.75 -41.21 66.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 25.3 mm100 -57.05 -41.45 78.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -67.05 -26.08 66.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.866 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 45.2 mtp180 -80.89 -27.08 36.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -65.87 -25.76 67.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.89 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.636 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.3 OUTLIER -103.96 -28.37 11.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.885 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 28.2 t -134.66 97.52 14.13 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.647 0.737 . . . . 0.0 110.839 -179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.8 -47.52 0.9 Allowed 'Trans proline' 0 C--O 1.233 0.227 0 C-N-CA 122.682 2.255 . . . . 0.0 112.314 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.2 mt -66.84 -19.69 65.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.502 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.61 -87.36 0.98 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 50.49 -93.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -39.23 -52.49 1.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.825 0.345 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.577 HG21 HD11 ' A' ' 45' ' ' LEU . 4.3 p -42.63 -48.35 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.116 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.494 ' N ' HG13 ' A' ' 78' ' ' VAL . 80.8 mt -63.01 -62.22 1.86 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.401 ' CB ' ' HA ' ' A' ' 65' ' ' GLU . 54.5 t-80 -53.36 -24.56 12.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.401 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.65 -67.41 0.78 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.95 -15.09 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.876 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.513 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 36.6 tp -84.86 -44.42 13.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 25.2 t70 -41.13 -45.32 2.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.892 179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.726 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -53.82 -40.56 44.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.117 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.41 ' CE3' ' HZ2' ' A' ' 27' ' ' TRP . 25.1 m95 -72.43 -68.54 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.484 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.5 ptpt -44.13 -41.76 5.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.8 t -59.17 -44.98 92.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -75.35 -24.49 57.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.095 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.486 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -81.82 -17.79 46.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.1 t -87.19 33.02 0.68 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.82 -179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.18 144.94 3.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 168.2 22.27 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.63 2.22 . . . . 0.0 112.364 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.5 m 42.98 46.27 4.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -101.37 90.91 4.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.1 m -44.35 135.75 4.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.878 0.37 . . . . 0.0 110.916 -179.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -112.72 -61.46 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -38.43 -79.63 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.471 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -109.48 137.64 47.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.896 0.379 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.489 ' CB ' ' HD3' ' A' ' 9' ' ' LYS . 0.9 OUTLIER -101.8 -171.85 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.74 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.76 -25.97 10.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.441 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.494 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 4.1 pp -85.29 -0.53 55.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.898 0.38 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' HD3' ' CB ' ' A' ' 6' ' ' SER . 0.2 OUTLIER -47.66 -35.49 9.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.861 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -84.3 -28.49 27.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 77.0 mt -62.09 -51.47 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.092 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.5 pt-20 -50.94 -41.72 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.438 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 27.4 m -64.64 -21.87 66.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.163 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.708 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.73 -12.94 32.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.068 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -96.65 -10.78 26.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.438 ' CD ' ' HA ' ' A' ' 13' ' ' THR . 7.2 mttt -72.42 -57.96 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.841 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -66.87 -36.49 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.708 HD12 ' O ' ' A' ' 14' ' ' ALA . 44.9 mt -79.14 -22.11 45.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.445 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 30.5 t30 60.65 39.79 17.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.85 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.434 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.6 pt -116.1 -177.23 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.543 HG23 ' O ' ' A' ' 23' ' ' ASP . 8.4 t -92.21 142.53 27.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.74 -21.35 40.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.076 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.543 ' O ' HG23 ' A' ' 21' ' ' THR . 28.9 t0 -88.38 120.58 70.46 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.57 0.7 . . . . 0.0 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.74 -33.7 16.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.658 2.238 . . . . 0.0 112.354 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.479 ' HG3' ' SG ' ' A' ' 61' ' ' CYS . 13.9 mtp -69.84 -5.63 26.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.514 ' CB ' HG21 ' A' ' 21' ' ' THR . 23.8 m-20 -106.11 -7.92 17.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.747 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.6 m0 -52.5 108.23 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.498 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.4 m -170.73 161.09 5.87 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.659 0.742 . . . . 0.0 110.867 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.498 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.7 -39.51 1.31 Allowed 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.389 -0.172 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 97.5 p -126.74 34.05 4.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -61.09 -35.36 76.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.923 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.479 HG13 HD21 ' A' ' 60' ' ' LEU . 28.3 t -41.35 -46.7 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 90.1 mm-40 -48.86 -39.39 25.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.606 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.4 mtpp -64.34 -51.4 63.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.88 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.747 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.7 t90 -61.09 -26.59 67.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.97 -67.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.962 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.7 pp -49.78 -22.62 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.926 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 30.8 t-105 -63.36 -73.33 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 12.1 m -70.0 -31.51 69.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' HA ' HD12 ' A' ' 45' ' ' LEU . 5.0 tt0 -52.71 -27.38 17.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.864 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.451 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 1.7 t60 -92.0 -21.43 20.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -88.28 -9.15 53.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.764 ' CB ' HD21 ' A' ' 45' ' ' LEU . 3.8 m-85 -125.27 -2.82 7.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.899 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.6 mmm-85 62.75 47.19 4.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.1 mt -93.6 156.09 40.0 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.633 0.73 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 170.65 16.08 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.244 . . . . 0.0 112.347 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.85 97.59 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.626 2.218 . . . . 0.0 112.338 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.54 ' HE1' HD13 ' A' ' 45' ' ' LEU . 8.6 mtt -89.58 -26.58 20.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -40.15 -47.99 3.51 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.523 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 16.6 tptp -59.6 -34.2 72.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -85.69 -20.88 28.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.783 ' CD2' HD12 ' A' ' 55' ' ' LEU . 28.3 m-85 -105.46 5.98 32.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 49' ' ' GLY . 6.8 mt-30 -52.58 -41.71 63.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.964 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -82.45 -10.59 58.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.783 HD12 ' CD2' ' A' ' 52' ' ' PHE . 76.0 mt -86.69 150.24 24.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.961 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -131.66 172.83 11.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.135 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -43.19 -61.97 2.55 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.461 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -49.8 -54.28 20.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.88 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 62' ' ' ALA . 6.0 mm-40 -47.59 -66.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.479 HD21 HG13 ' A' ' 32' ' ' VAL . 9.7 mp -39.2 -58.58 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.479 ' SG ' ' HG3' ' A' ' 25' ' ' MET . 27.2 t -63.02 -27.57 69.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -84.33 -14.1 50.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.425 ' N ' ' O ' ' A' ' 59' ' ' GLU . 21.2 mtm -80.4 -178.5 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.446 ' O ' ' C ' ' A' ' 65' ' ' GLU . 14.6 m -130.13 150.21 51.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.866 -179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.1 tt0 -34.86 -61.12 0.42 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -49.84 -42.83 48.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.438 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 20.3 mm-40 -60.74 -38.31 84.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -67.91 -24.39 65.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 37.7 mtp180 -86.42 -18.79 30.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.855 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -68.23 -26.27 65.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.893 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.557 ' NE ' HD11 ' A' ' 55' ' ' LEU . 1.4 ptp85 -104.58 -31.61 9.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.426 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 25.2 t -130.37 97.17 22.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.9 Cg_endo -69.81 -48.76 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.624 2.216 . . . . 0.0 112.371 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.27 -20.24 65.28 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.93 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -123.77 -87.05 0.77 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.436 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.44 -89.11 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.48 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.9 OUTLIER -40.66 -40.47 1.3 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.603 HG11 HD11 ' A' ' 45' ' ' LEU . 19.7 t -52.09 -54.81 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.107 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.474 HD11 ' SD ' ' A' ' 48' ' ' MET . 75.5 mt -56.15 -63.96 1.02 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.926 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -47.93 -24.31 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -83.07 -67.38 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.09 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.19 -22.95 19.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.871 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.509 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 45.7 tp -76.57 -43.6 38.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.44 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 10.2 t0 -41.55 -42.91 2.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.874 179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.9 mp -56.8 -42.12 76.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 25.1 m95 -71.24 -67.4 0.52 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.959 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.476 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 3.7 ptpt -44.38 -40.16 5.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.921 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.8 t -64.6 -41.45 96.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -77.01 -19.66 56.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -87.53 -18.67 29.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.094 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 6.4 t -88.07 36.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.857 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.22 158.08 22.55 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.453 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 171.14 15.04 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.627 2.218 . . . . 0.0 112.369 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.1 t -91.1 87.01 6.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 31.1 m 49.03 41.41 19.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.898 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.472 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -110.91 153.07 25.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.1 m -129.82 156.9 43.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.845 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.14 -130.68 1.96 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.511 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.3 m -45.31 169.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.85 0.357 . . . . 0.0 110.904 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.7 p -112.0 77.76 1.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -140.24 -63.53 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 11' ' ' ILE . 3.2 pp -61.6 -15.16 36.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 9' ' ' LYS . 0.0 OUTLIER -45.12 -27.34 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -90.4 -27.62 19.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.844 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.47 HD11 HG22 ' A' ' 85' ' ' ILE . 86.0 mt -60.4 -52.88 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -50.55 -42.32 55.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.432 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 37.7 m -55.65 -29.36 59.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.103 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -89.09 -13.08 39.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 10.9 m -96.18 -10.95 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 7.5 mttt -72.38 -58.45 3.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -71.8 -4.88 30.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.508 ' N ' HD13 ' A' ' 17' ' ' LEU . 56.0 mt -103.53 -22.16 13.66 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 44.4 t30 63.95 34.37 11.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.442 HD12 ' NE1' ' A' ' 27' ' ' TRP . 22.6 pt -115.21 179.71 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.152 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.62 HG21 ' CB ' ' A' ' 26' ' ' ASP . 11.8 t -95.59 133.04 40.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -45.87 -31.09 1.95 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.044 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.596 ' O ' HG23 ' A' ' 21' ' ' THR . 36.5 t0 -79.49 121.29 82.54 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.616 0.722 . . . . 0.0 110.871 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.518 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.5 Cg_endo -69.8 -33.0 17.32 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 17.5 mtp -70.69 -5.63 31.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.62 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -108.23 -4.76 17.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.858 -180.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.738 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 23.8 m0 -53.08 90.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.7 m -147.27 157.7 45.25 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.606 0.717 . . . . 0.0 110.891 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.509 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.7 -44.48 0.5 Allowed 'Cis proline' 0 N--CA 1.465 -0.151 0 C-N-CA 122.703 -1.79 . . . . 0.0 112.384 -0.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 58.4 m -124.97 29.26 6.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.918 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.6 m-20 -51.59 -30.12 19.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.544 HG21 HD13 ' A' ' 60' ' ' LEU . 28.0 t -46.34 -45.47 6.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 72.3 mm-40 -53.51 -30.5 41.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 mtpp -72.91 -49.76 27.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.738 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.5 t90 -60.0 -28.88 68.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.938 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 94.2 mt -68.98 -72.09 0.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD12 ' N ' ' A' ' 38' ' ' TRP . 3.2 pp -44.79 -28.06 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.542 ' N ' HD12 ' A' ' 37' ' ' LEU . 44.1 t-105 -56.56 -73.1 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.544 HG22 ' CD1' ' A' ' 43' ' ' TYR . 21.7 m -70.16 -31.07 68.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.093 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.1 tt0 -52.1 -30.93 28.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 2.3 t60 -86.74 -16.68 35.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.5 mt-30 -89.86 -22.1 22.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.875 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.788 ' CB ' HD21 ' A' ' 45' ' ' LEU . 12.3 m-85 -116.42 3.03 13.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.928 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 3.3 mpt_? 56.45 53.06 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.788 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -98.92 158.27 32.66 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.909 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.505 ' HG3' HD12 ' A' ' 74' ' ' LEU . 54.1 Cg_endo -69.77 164.35 34.89 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.642 2.228 . . . . 0.0 112.357 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 99.13 0.73 Allowed 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE1' ' CD1' ' A' ' 45' ' ' LEU . 1.0 OUTLIER -90.56 -18.26 25.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -43.17 -44.54 6.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.479 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.4 tttp -62.77 -34.26 76.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.781 0.324 . . . . 0.0 110.86 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.51 -27.52 31.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.559 ' CZ ' ' HD2' ' A' ' 71' ' ' ARG . 4.0 m-85 -99.07 -0.55 41.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' N ' ' O ' ' A' ' 49' ' ' GLY . 7.8 pt20 -46.96 -37.16 8.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.908 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -84.83 -17.99 36.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD11 ' NE ' ' A' ' 71' ' ' ARG . 85.6 mt -81.11 150.86 28.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -128.98 173.05 10.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.496 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.88 -53.85 8.5 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.451 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.2 ptpt -56.52 -56.9 15.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.735 0.302 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.439 ' O ' ' N ' ' A' ' 62' ' ' ALA . 18.6 mm-40 -46.16 -63.35 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.544 HD13 HG21 ' A' ' 32' ' ' VAL . 4.8 mp -40.61 -55.45 2.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 3.2 t -64.1 -26.97 68.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -87.61 -10.76 50.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.104 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.416 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 17.8 mtm -80.85 174.85 11.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.813 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 67' ' ' GLN . 15.1 m -124.43 149.79 46.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 64' ' ' SER . 11.2 tt0 -34.83 -58.21 0.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.44 -42.25 53.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 35.6 mm-40 -59.43 -47.29 86.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.944 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 42.6 m-85 -61.77 -24.5 66.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.833 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -86.57 -22.39 26.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 9.3 mm-40 -67.34 -28.86 68.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.615 ' NE ' HD11 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -104.52 -26.64 12.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 -179.854 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.409 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 20.2 t -130.71 94.2 29.62 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.611 0.72 . . . . 0.0 110.828 -179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.6 Cg_endo -69.75 -50.67 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.674 2.249 . . . . 0.0 112.302 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD12 ' HG3' ' A' ' 46' ' ' PRO . 1.2 mt -63.2 -21.83 66.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.511 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -120.77 -86.44 0.92 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.5 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.47 -90.64 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.435 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' GLY . 8.5 t0 -38.96 -48.99 1.66 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.847 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG12 ' C ' ' A' ' 75' ' ' GLY . 4.9 p -51.71 -43.11 32.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.148 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.429 HD13 ' CZ ' ' A' ' 52' ' ' PHE . 85.4 mt -64.81 -60.14 3.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -57.41 -21.61 37.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -84.14 -67.07 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.081 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -55.44 -14.08 1.79 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.854 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.464 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 59.7 tp -85.57 -40.27 16.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.954 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -44.49 -43.13 7.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.73 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.45 -37.66 52.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.13 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.459 ' CZ3' ' SG ' ' A' ' 15' ' ' CYS . 19.9 m95 -74.79 -67.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.894 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -45.41 -42.26 10.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.2 t -60.78 -42.79 98.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.49 -25.44 50.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.102 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.442 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.51 -16.76 41.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.3 t -90.07 38.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.819 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.36 -158.27 1.24 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.81 26.43 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.683 2.255 . . . . 0.0 112.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 91.2 p -117.53 43.75 2.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.83 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 24.6 m -85.5 -47.69 9.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.465 -179.953 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m 62.05 48.22 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.805 0.336 . . . . 0.0 110.83 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 m -96.28 162.84 13.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 145.82 -85.0 0.18 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.455 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 t 50.19 42.42 25.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.896 0.379 . . . . 0.0 110.867 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p 43.79 41.84 4.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.868 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.17 -52.21 0.57 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.492 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -83.91 -15.55 47.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.832 0.349 . . . . 0.0 110.919 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.5 mmtt -44.28 -32.48 1.3 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.01 -25.96 25.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LEU . 78.1 mt -60.2 -50.53 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.131 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.437 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.2 pt-20 -50.31 -40.51 48.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.8 m -60.44 -23.45 64.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.697 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.62 -12.87 33.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 58.6 m -95.81 -11.51 26.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.8 mttt -77.09 -55.71 5.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.87 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.403 ' HG ' ' N ' ' A' ' 18' ' ' LEU . 2.0 pt? -71.66 -36.16 70.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.697 HD12 ' O ' ' A' ' 14' ' ' ALA . 43.9 mt -82.08 -19.49 40.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.953 179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 19' ' ' ASN . 19.0 t-20 56.33 46.66 20.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.715 HG22 ' OD1' ' A' ' 31' ' ' ASN . 35.5 pt -121.13 -177.56 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.624 HG21 ' CB ' ' A' ' 26' ' ' ASP . 7.3 t -94.36 132.46 38.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.14 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.98 -27.44 1.29 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.078 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' O ' HG23 ' A' ' 21' ' ' THR . 43.9 t0 -80.88 119.5 76.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.616 0.722 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.534 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.76 -32.93 17.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.0 mtp -71.48 -5.78 35.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.934 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.624 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.6 OUTLIER -104.71 -9.76 17.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.741 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.4 m0 -50.21 97.55 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.523 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.6 p -157.99 157.3 29.33 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.703 0.763 . . . . 0.0 110.878 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.8 Cg_endo -69.78 -44.82 0.47 Allowed 'Cis proline' 0 C--N 1.342 0.21 0 C-N-CA 122.655 -1.81 . . . . 0.0 112.361 -0.078 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.0 p -121.62 39.33 3.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.715 ' OD1' HG22 ' A' ' 20' ' ' ILE . 2.1 m-80 -65.11 -31.89 73.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.886 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 22.3 t -45.41 -44.68 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.425 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 78.5 mm-40 -51.56 -45.69 63.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 mtpp -57.32 -46.93 82.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.741 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 67.6 t90 -67.09 -21.41 65.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.4 mt -81.76 -66.95 0.82 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.952 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 pp -50.39 -18.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.2 t-105 -70.83 -73.68 0.17 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 ' CE1' ' A' ' 43' ' ' TYR . 19.0 m -66.93 -32.86 74.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.188 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.619 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.7 tt0 -51.81 -29.08 17.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 7.4 t60 -92.39 -13.13 30.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.814 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.88 -18.78 23.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.705 ' CB ' HD21 ' A' ' 45' ' ' LEU . 5.2 m-85 -119.01 1.27 11.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.6 mmm180 61.68 50.1 4.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.886 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.705 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.91 156.61 37.03 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 0.0 110.948 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 170.82 15.7 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.67 2.247 . . . . 0.0 112.294 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 95.93 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.688 2.259 . . . . 0.0 112.321 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.67 ' SD ' HD21 ' A' ' 79' ' ' LEU . 5.3 mtt -89.28 -24.64 22.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.864 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -41.12 -39.03 1.97 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.517 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.1 tptm -68.5 -35.57 77.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.73 0.3 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.46 -27.66 37.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.079 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 55' ' ' LEU . 5.1 m-85 -102.04 -3.27 27.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.922 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' GLY . 18.3 pt20 -46.58 -39.67 11.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.946 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.72 -19.97 40.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 52' ' ' PHE . 54.7 mt -80.51 157.73 26.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.943 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.18 175.89 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.088 179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.482 ' CA ' ' O ' ' A' ' 24' ' ' PRO . . . -47.79 -44.42 24.04 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.491 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.1 ptpt -64.89 -57.47 8.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' O ' ' N ' ' A' ' 62' ' ' ALA . 16.0 mm-40 -44.65 -67.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 59' ' ' GLU . 9.0 mp -35.88 -62.72 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.0 t -59.61 -30.42 68.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -80.67 -12.99 59.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.056 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 20.4 mtm -80.98 -174.65 4.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.45 ' O ' ' C ' ' A' ' 65' ' ' GLU . 16.0 m -132.32 149.06 52.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.91 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 13.7 tt0 -34.46 -60.13 0.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.19 -42.79 51.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 64' ' ' SER . 6.7 mm-40 -57.87 -46.49 84.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.938 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.8 m-85 -60.36 -26.33 66.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 48.7 mtm180 -85.67 -18.43 33.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 44.4 mm-40 -70.65 -26.55 63.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.35 -28.17 11.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.811 -179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.4 t -134.7 96.99 14.46 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.703 0.763 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -46.26 1.29 Allowed 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.675 2.25 . . . . 0.0 112.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 mt -63.98 -22.76 67.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.523 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -119.38 -86.09 1.0 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.462 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 47.49 -92.92 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.527 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.418 ' N ' ' O ' ' A' ' 75' ' ' GLY . 34.1 t0 -38.85 -50.2 1.69 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.911 0.386 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.523 HG12 ' C ' ' A' ' 75' ' ' GLY . 7.7 p -46.81 -46.24 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.145 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.67 HD21 ' SD ' ' A' ' 48' ' ' MET . 88.5 mt -62.17 -65.87 0.62 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -50.7 -26.58 5.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -78.09 -67.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.55 -17.91 6.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.842 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 42.2 tp -83.1 -43.1 16.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.898 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -41.32 -45.7 3.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -54.37 -39.32 43.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.138 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 24.9 m95 -73.48 -68.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.941 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 5.0 ptpt -44.5 -42.79 7.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.1 t -59.03 -46.79 87.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -71.45 -27.8 63.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.088 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -80.88 -16.79 52.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.121 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.6 t -88.5 39.43 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.722 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 54.96 -158.66 6.37 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.461 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 158.57 56.55 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.267 . . . . 0.0 112.329 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.7 p -108.94 44.16 1.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 56.5 p -59.31 125.11 22.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 m 55.82 41.89 29.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.7 t -118.7 -55.39 2.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 93.57 -45.93 2.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.46 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.8 t -136.59 137.17 39.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.893 0.378 . . . . 0.0 110.85 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 40.2 m -95.01 94.92 8.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -129.85 -75.12 0.15 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.425 HD12 ' O ' ' A' ' 8' ' ' LEU . 2.7 pp -85.34 -7.0 59.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.356 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.2 mmmt -52.41 -28.38 19.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.905 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.16 -23.73 21.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.436 HD11 HG22 ' A' ' 85' ' ' ILE . 78.9 mt -63.91 -50.56 76.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.1 pt-20 -50.99 -41.79 59.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.6 m -65.08 -20.17 66.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.148 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.789 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.81 -13.01 32.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.077 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 63.0 m -96.53 -10.84 26.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.903 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.7 mttt -76.54 -44.69 33.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 -179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.51 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 1.8 pt? -75.72 -33.97 60.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.797 HD22 ' HB3' ' A' ' 34' ' ' LYS . 12.9 mt -87.27 -17.7 31.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 59.5 49.63 8.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.867 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 27' ' ' TRP . 28.7 pt -124.95 -177.71 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.593 HG23 ' O ' ' A' ' 23' ' ' ASP . 13.4 t -94.16 136.14 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.121 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.16 -27.71 6.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.143 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.593 ' O ' HG23 ' A' ' 21' ' ' THR . 37.9 t0 -84.01 120.12 74.38 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.4 Cg_endo -69.75 -32.03 19.4 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.674 2.25 . . . . 0.0 112.32 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.2 mtp -71.33 -5.69 34.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.492 ' CB ' HG21 ' A' ' 21' ' ' THR . 4.2 m-20 -107.3 -3.84 19.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.85 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.724 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 29.5 m0 -55.95 106.35 0.26 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.524 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 3.0 p -162.95 156.92 17.56 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.684 0.754 . . . . 0.0 110.897 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.69 -46.96 0.33 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.371 -0.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.5 p -119.78 31.14 6.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.83 -179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -53.08 -32.47 47.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.893 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.405 HG21 HD13 ' A' ' 60' ' ' LEU . 32.4 t -44.97 -53.04 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.147 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 84.4 mm-40 -42.14 -42.63 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.797 ' HB3' HD22 ' A' ' 18' ' ' LEU . 10.8 mtpt -59.79 -55.32 35.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.724 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 69.3 t90 -61.51 -12.82 16.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.92 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 71.5 mt -88.63 -67.56 0.83 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.92 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -51.74 -23.05 4.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.563 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.1 t-105 -67.16 -72.5 0.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.912 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.5 m -64.98 -29.45 70.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.107 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -56.74 -29.09 62.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.436 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 30.9 t60 -91.72 -10.52 39.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -96.21 -14.14 22.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.777 ' CB ' HD21 ' A' ' 45' ' ' LEU . 2.9 m-85 -124.28 -0.27 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 mmt180 63.61 42.94 6.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.903 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 43' ' ' TYR . 1.7 mt -87.96 155.24 52.73 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.6 0.714 . . . . 0.0 110.961 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 170.32 16.86 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.748 2.299 . . . . 0.0 112.346 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 99.5 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.706 2.27 . . . . 0.0 112.304 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.957 ' SD ' HD11 ' A' ' 79' ' ' LEU . 5.2 mtt -92.85 -25.74 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.839 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.16 -35.89 0.48 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.467 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 30.5 tptt -71.77 -37.16 70.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.812 0.339 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.87 -30.59 50.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.678 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -102.94 4.38 37.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 8.2 pt20 -49.34 -37.42 24.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.895 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.42 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 10.0 pt-20 -86.37 -25.37 25.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.678 HD12 ' CD2' ' A' ' 52' ' ' PHE . 84.0 mt -69.15 152.64 44.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.949 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.35 174.83 9.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.079 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.462 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -45.45 -55.36 6.91 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.475 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -55.27 -56.32 21.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.69 0.281 . . . . 0.0 110.893 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 62' ' ' ALA . 33.9 mm-40 -46.14 -65.65 0.52 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.884 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.455 HD12 ' HB3' ' A' ' 55' ' ' LEU . 6.2 mp -38.24 -58.49 0.98 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.81 -28.07 69.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.4 -5.94 59.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.448 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 22.3 mtm -87.89 -178.9 6.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.6 m -130.25 149.86 51.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.817 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.522 ' HA ' ' CG ' ' A' ' 80' ' ' HIS . 11.5 tt0 -34.43 -58.59 0.48 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -50.57 -43.19 56.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.5 mm-40 -59.75 -44.0 94.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.875 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CE1' ' HB2' ' A' ' 63' ' ' MET . 45.2 m-85 -63.5 -24.23 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 39.9 mtp180 -86.75 -23.39 25.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -66.53 -29.03 69.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.4 OUTLIER -104.45 -24.37 13.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.852 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.423 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 31.8 t -134.36 93.37 19.21 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.71 0.767 . . . . 0.0 110.814 -179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.5 Cg_endo -69.74 -50.45 0.47 Allowed 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.356 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.4 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.61 -21.66 65.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.902 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.73 -84.42 0.75 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.471 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 44.57 -90.74 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.7 OUTLIER -39.85 -41.15 1.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.868 0.366 . . . . 0.0 110.892 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 10.6 t -55.25 -56.92 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.957 HD11 ' SD ' ' A' ' 48' ' ' MET . 82.2 mt -56.55 -58.27 8.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.522 ' CG ' ' HA ' ' A' ' 65' ' ' GLU . 46.3 t-80 -52.97 -29.25 27.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.846 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.94 -66.98 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -54.46 -14.84 1.38 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.474 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 54.8 tp -83.73 -41.67 17.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.91 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -43.98 -42.01 5.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.832 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.754 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.1 mp -56.62 -38.99 60.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.119 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 27.1 m95 -74.9 -68.56 0.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt -44.87 -42.48 8.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.924 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.2 t -61.85 -41.41 97.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -77.69 -16.08 58.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -100.92 -14.87 17.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.089 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.4 p -72.03 -17.52 62.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 161.57 -157.77 29.49 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 162.21 42.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.697 2.264 . . . . 0.0 112.317 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 44.3 p -119.18 45.13 2.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.871 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.0 t -91.89 120.63 32.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.823 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.485 -179.984 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -131.92 -43.25 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 95.6 p -133.74 132.14 40.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.29 93.87 0.13 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.9 p -91.41 -10.76 39.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.841 0.353 . . . . 0.0 110.85 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.8 p -115.73 39.17 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.853 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.62 -51.16 0.98 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.529 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.8 pp -76.51 -15.54 59.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.855 0.36 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.6 mmmt -46.95 -26.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.915 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.61 -25.45 19.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.658 HD13 ' HA ' ' A' ' 86' ' ' TRP . 78.1 mt -62.39 -53.4 47.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 3.0 pt-20 -50.74 -40.29 54.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.418 ' HA ' ' CD ' ' A' ' 16' ' ' LYS . 24.1 m -64.37 -22.8 67.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.78 -12.92 32.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.092 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.549 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 48.5 m -96.93 -10.79 25.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 12.3 mttt -72.16 -46.15 57.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.864 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 ' CD1' ' HG ' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -79.8 -11.64 59.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.924 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.493 ' HG ' ' CD1' ' A' ' 17' ' ' LEU . 36.5 mt -99.76 -20.44 16.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.932 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.0 t30 61.47 31.67 18.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.949 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.44 HD12 ' NE1' ' A' ' 27' ' ' TRP . 7.9 pt -112.99 -176.79 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.523 HG21 ' CB ' ' A' ' 26' ' ' ASP . 10.7 t -91.92 140.68 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.139 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -53.46 -27.78 26.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.156 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 21' ' ' THR . 51.5 t0 -81.57 118.96 74.28 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.565 0.698 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.503 ' HA ' ' CE2' ' A' ' 27' ' ' TRP . 53.9 Cg_endo -69.75 -31.72 20.0 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.696 2.264 . . . . 0.0 112.318 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.402 ' HG2' ' HB2' ' A' ' 61' ' ' CYS . 12.4 mtp -72.77 -5.77 40.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.523 ' CB ' HG21 ' A' ' 21' ' ' THR . 0.7 OUTLIER -103.18 -12.7 17.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.642 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 30.8 m0 -47.31 110.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.537 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 23.3 p -168.0 153.93 7.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.877 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -50.88 0.17 OUTLIER 'Cis proline' 0 C--N 1.341 0.146 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.361 -0.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 36.8 m -116.94 36.26 4.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.858 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -62.28 -27.99 69.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.546 HG21 HD13 ' A' ' 60' ' ' LEU . 23.2 t -49.54 -50.5 16.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.128 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 2.9 mm100 -44.8 -40.31 6.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -60.19 -50.35 74.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.642 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 66.2 t90 -63.32 -22.78 67.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.923 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 ' O ' ' CB ' ' A' ' 40' ' ' GLU . 83.2 mt -78.89 -55.13 5.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.961 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -62.05 -16.56 52.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.525 ' CH2' ' OE1' ' A' ' 42' ' ' GLN . 6.6 t-105 -76.44 -63.38 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.96 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.402 HG22 ' CD1' ' A' ' 43' ' ' TYR . 5.0 m -73.53 -28.55 61.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 45' ' ' LEU . 9.0 tt0 -59.11 -30.76 68.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.576 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 11.0 t60 -86.74 -12.9 46.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.826 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.525 ' OE1' ' CH2' ' A' ' 38' ' ' TRP . 8.8 mt-30 -97.2 -14.02 21.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.787 ' HB3' HD21 ' A' ' 45' ' ' LEU . 2.8 m-85 -122.35 -2.36 9.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 63.64 40.56 7.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.818 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.787 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.9 mt -86.23 155.19 57.58 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 170.25 17.0 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.635 2.224 . . . . 0.0 112.34 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 98.31 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.68 2.254 . . . . 0.0 112.354 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.722 ' SD ' HD11 ' A' ' 79' ' ' LEU . 18.4 mtt -89.59 -25.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.878 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -38.86 -37.67 0.63 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -69.68 -40.52 76.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.764 0.316 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -78.87 -21.99 46.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.097 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.594 ' CD2' HD12 ' A' ' 55' ' ' LEU . 8.2 m-85 -108.41 3.21 23.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' N ' ' A' ' 54' ' ' GLU . 6.7 pt20 -51.17 -38.45 52.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' N ' ' HG3' ' A' ' 53' ' ' GLN . 1.7 pp20? -86.11 -12.18 50.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.854 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.594 HD12 ' CD2' ' A' ' 52' ' ' PHE . 68.9 mt -83.66 151.74 25.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -129.87 170.36 14.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.535 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.09 -56.81 3.79 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.504 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.01 -58.4 7.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 26.3 mm-40 -44.86 -65.77 0.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.929 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.546 HD13 HG21 ' A' ' 32' ' ' VAL . 6.5 mp -37.65 -59.13 0.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 24' ' ' PRO . 5.6 m -63.57 -27.75 69.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -83.09 -9.92 58.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.098 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 21.5 mtm -82.71 -175.19 5.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.3 m -132.18 147.2 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.48 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 20.3 tt0 -34.33 -59.18 0.45 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -51.21 -40.87 59.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.93 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 64' ' ' SER . 21.4 mm-40 -59.77 -45.56 91.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.862 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 30.3 m-85 -61.14 -26.01 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.13 -23.04 28.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -65.84 -27.48 68.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.567 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 2.8 ptp85 -104.42 -32.58 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 8.4 t -128.76 96.96 28.37 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.633 0.73 . . . . 0.0 110.841 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -49.21 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.88 -23.16 64.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.501 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -122.75 -86.9 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.465 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.36 -87.73 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.493 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.501 ' N ' ' O ' ' A' ' 75' ' ' GLY . 0.6 OUTLIER -42.75 -42.13 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.81 0.338 . . . . 0.0 110.867 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.728 HG11 HD11 ' A' ' 45' ' ' LEU . 22.1 t -49.96 -57.04 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.722 HD11 ' SD ' ' A' ' 48' ' ' MET . 56.2 mt -54.43 -59.94 4.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.6 t-80 -52.65 -25.46 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.431 ' O ' HD12 ' A' ' 85' ' ' ILE . . . -81.31 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -56.65 -16.89 7.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.848 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.449 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 42.5 tp -81.83 -46.8 13.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.927 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.422 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 11.6 t70 -39.53 -44.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.748 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -56.9 -42.6 78.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.154 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.658 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -70.18 -66.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.49 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -45.68 -42.94 12.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 10.0 t -61.7 -43.45 98.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.826 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -73.43 -25.21 60.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.085 179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -82.33 -17.07 47.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.2 t -84.21 33.85 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 -179.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -101.17 -156.97 27.15 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 170.52 16.31 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.7 2.267 . . . . 0.0 112.377 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 72.2 p -126.68 90.39 3.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 83.0 p -63.2 122.24 15.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.864 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.488 -179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.261 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -99.77 110.8 23.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.2 m -46.79 130.46 11.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.864 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.1 -154.9 6.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.468 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m -150.44 172.52 15.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.827 0.346 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 m -75.88 144.37 41.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.6 -61.95 0.57 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 11' ' ' ILE . 2.9 pp -65.29 -14.95 61.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.833 0.349 . . . . 0.0 110.905 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -45.11 -26.91 0.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -91.76 -27.43 18.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 86' ' ' TRP . 82.7 mt -62.11 -51.22 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.178 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.456 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 1.7 pt-20 -53.06 -39.73 63.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 28.4 m -61.11 -23.35 65.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.153 -179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.504 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -91.8 -13.01 32.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.081 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 31.7 m -96.75 -10.81 26.0 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.871 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.456 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 10.9 mttt -73.98 -45.54 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.761 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -82.83 -5.1 58.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.924 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.504 HD12 ' O ' ' A' ' 14' ' ' ALA . 95.8 mt -107.84 -20.75 13.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.839 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 64.66 37.11 7.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 pt -118.33 176.63 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.111 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.0 t -90.9 137.32 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.07 -32.4 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.591 ' O ' HG23 ' A' ' 21' ' ' THR . 10.5 t0 -79.56 121.02 82.14 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.573 0.702 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.531 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 53.7 Cg_endo -69.74 -33.07 17.41 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.712 2.275 . . . . 0.0 112.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.2 mtp -71.33 -5.54 33.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.907 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.546 ' CB ' HG21 ' A' ' 21' ' ' THR . 21.1 m-20 -106.52 -5.13 19.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.891 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.742 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 26.8 m0 -54.16 109.05 0.43 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.503 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.8 p -166.18 158.41 12.12 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.691 0.758 . . . . 0.0 110.854 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 28' ' ' SER . 54.0 Cg_endo -69.72 -44.45 0.51 Allowed 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.335 -0.093 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 87.6 p -124.51 39.13 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.829 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 35.5 m-20 -63.52 -30.11 71.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.515 HG21 HD13 ' A' ' 60' ' ' LEU . 41.4 t -46.92 -46.09 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 86.3 mm-40 -49.79 -35.14 21.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.463 ' NZ ' ' O ' ' A' ' 18' ' ' LEU . 15.1 mtpt -68.62 -57.24 6.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.742 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 64.9 t90 -55.02 -23.11 18.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.948 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD23 HD22 ' A' ' 79' ' ' LEU . 84.4 mt -76.0 -72.86 0.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.592 HD12 ' N ' ' A' ' 38' ' ' TRP . 4.5 pp -46.43 -28.88 1.49 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.592 ' N ' HD12 ' A' ' 37' ' ' LEU . 37.5 t-105 -55.23 -73.18 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.942 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.719 HG22 ' CD1' ' A' ' 43' ' ' TYR . 2.9 m -69.73 -32.35 70.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CG ' ' HB2' ' A' ' 45' ' ' LEU . 2.6 tt0 -51.17 -33.71 28.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -85.13 -15.85 42.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.846 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 6.9 mt-30 -94.55 -10.87 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.921 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.83 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.5 m-85 -123.75 -2.87 8.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.977 -179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 62.88 46.47 4.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD21 ' HB3' ' A' ' 43' ' ' TYR . 0.7 OUTLIER -94.85 158.04 35.78 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.572 0.701 . . . . 0.0 110.949 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.421 ' O ' ' SD ' ' A' ' 48' ' ' MET . 53.4 Cg_endo -69.79 163.87 36.7 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 97.51 0.64 Allowed 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.696 2.264 . . . . 0.0 112.357 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.522 ' HB3' ' CE1' ' A' ' 52' ' ' PHE . 1.5 mpt? -88.42 -25.75 22.5 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 48' ' ' MET . . . -37.15 -42.76 0.85 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.462 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 59.1 tttt -64.67 -38.52 91.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.863 0.363 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -80.22 -18.96 48.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.131 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.569 ' CE1' ' HD3' ' A' ' 71' ' ' ARG . 6.6 m-85 -106.49 5.81 29.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 8.1 mt-30 -51.2 -42.14 60.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.99 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -82.34 -16.56 48.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 HD12 ' CD2' ' A' ' 52' ' ' PHE . 82.3 mt -79.99 150.27 30.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.09 168.38 18.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.078 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.48 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -39.12 -54.56 2.5 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.478 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.16 -58.18 8.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.78 0.324 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 62' ' ' ALA . 5.7 mm-40 -45.45 -63.23 1.0 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.844 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.515 HD13 HG21 ' A' ' 32' ' ' VAL . 6.0 mp -37.77 -58.06 0.94 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.6 m -66.08 -27.46 68.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.895 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -81.99 -11.64 58.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.118 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 25.1 mtm -83.32 -176.88 6.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 67' ' ' GLN . 13.2 m -131.8 150.75 52.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.839 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.518 ' HB2' ' CE1' ' A' ' 80' ' ' HIS . 16.7 tt0 -34.22 -59.19 0.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 mp0 -51.3 -42.78 61.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 64' ' ' SER . 43.0 mm-40 -56.69 -46.86 80.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' CD2' ' HB2' ' A' ' 79' ' ' LEU . 34.8 m-85 -62.6 -24.72 67.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 19.8 mtp180 -86.99 -20.95 26.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.0 mm-40 -68.06 -27.74 66.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.911 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' CE1' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -104.59 -28.34 11.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 22.6 t -132.8 95.79 19.07 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.641 0.734 . . . . 0.0 110.829 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -46.78 1.1 Allowed 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.689 2.259 . . . . 0.0 112.348 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.5 mt -63.76 -23.02 67.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -121.87 -86.32 0.84 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.501 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 45.74 -89.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.531 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 75' ' ' GLY . 1.1 p-10 -40.2 -41.72 1.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 45' ' ' LEU . 15.4 t -51.31 -55.41 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.097 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.457 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 60.1 mt -57.82 -56.57 20.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.518 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 51.0 t-80 -54.94 -27.18 41.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.33 -67.57 0.77 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -57.49 -13.37 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.828 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.563 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 56.5 tp -85.86 -39.03 17.47 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.864 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -46.81 -42.46 17.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.877 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 85' ' ' ILE . 4.8 mp -57.28 -36.89 53.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.462 ' HA ' HD13 ' A' ' 11' ' ' ILE . 22.3 m95 -75.27 -66.59 0.75 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.927 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -47.8 -41.14 22.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.9 t -61.46 -46.21 91.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.801 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.421 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -73.73 -26.13 60.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.141 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.492 ' HB1' ' OD2' ' A' ' 23' ' ' ASP . . . -83.48 -16.67 44.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.093 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.3 t -83.91 36.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.853 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 65.02 -152.91 50.86 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.519 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -0.96 7.66 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.5 p 58.42 50.11 9.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 54.0 p -63.18 165.64 7.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 1' ' ' GLY . 70.0 m -35.11 -58.74 0.53 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.859 0.361 . . . . 0.0 110.868 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -90.96 -62.64 1.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.75 164.34 40.09 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.524 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 m -145.19 178.12 8.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.812 0.339 . . . . 0.0 110.892 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 t -111.03 80.57 1.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.869 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 -70.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.521 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.1 pp -58.71 -11.21 2.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.0 mmmm -48.83 -26.16 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.896 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.31 -29.38 19.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.896 179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 86' ' ' TRP . 93.4 mt -60.63 -49.93 82.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.41 ' O ' ' CG ' ' A' ' 16' ' ' LYS . 2.3 pt-20 -55.83 -36.3 67.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -57.44 -29.87 64.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.135 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.527 ' O ' HD12 ' A' ' 18' ' ' LEU . . . -92.17 -11.91 34.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.076 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.459 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 26.0 m -95.19 -10.95 28.98 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.872 -179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 4.8 mttm -69.28 -52.37 28.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.799 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.52 -8.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.918 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.72 HD22 ' HB3' ' A' ' 34' ' ' LYS . 86.6 mt -99.61 -18.33 17.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.9 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 39.6 t30 55.88 42.01 29.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.45 HD12 ' NE1' ' A' ' 27' ' ' TRP . 26.4 pt -121.42 -178.54 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.08 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.56 HG23 ' O ' ' A' ' 23' ' ' ASP . 14.8 t -92.88 131.16 38.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.169 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -46.73 -29.59 1.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.56 ' O ' HG23 ' A' ' 21' ' ' THR . 30.7 t0 -78.87 119.31 76.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.564 0.697 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.528 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.75 -31.45 20.55 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.251 . . . . 0.0 112.352 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 13.5 mtp -73.36 -5.72 41.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.871 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.553 ' CB ' HG21 ' A' ' 21' ' ' THR . 1.7 m-20 -105.56 -9.37 17.46 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.739 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 28.3 m0 -49.31 104.35 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 1.9 p -164.29 158.1 15.57 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.685 0.755 . . . . 0.0 110.841 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.75 -41.16 0.95 Allowed 'Cis proline' 0 C--N 1.341 0.175 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.328 -0.099 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 90.4 p -126.82 36.88 4.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 32.9 m-20 -62.54 -30.0 70.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.502 HG21 HD13 ' A' ' 60' ' ' LEU . 42.5 t -46.52 -46.99 7.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.103 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -48.11 -39.69 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.72 ' HB3' HD22 ' A' ' 18' ' ' LEU . 11.0 mtpp -63.32 -50.15 71.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.739 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 73.5 t90 -64.06 -18.31 64.23 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.946 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 77.9 mt -82.79 -68.84 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.2 pp -49.54 -19.52 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -67.49 -72.91 0.15 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.662 HG23 ' CE1' ' A' ' 43' ' ' TYR . 39.3 m -68.47 -32.67 72.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.169 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.61 ' HA ' HD12 ' A' ' 45' ' ' LEU . 3.4 tt0 -52.09 -27.38 13.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.578 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 4.9 t60 -92.71 -15.44 26.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -93.16 -14.42 27.19 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.746 ' CB ' HD21 ' A' ' 45' ' ' LEU . 4.5 m-85 -121.7 2.0 10.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.917 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 18.5 mmt180 59.4 49.39 8.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.909 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.746 HD21 ' CB ' ' A' ' 43' ' ' TYR . 0.9 OUTLIER -95.49 156.47 37.52 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.943 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 170.38 16.72 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 97.61 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.656 2.237 . . . . 0.0 112.346 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.554 ' SD ' HD11 ' A' ' 79' ' ' LEU . 10.1 mtt -91.11 -26.89 18.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -41.38 -41.29 2.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.505 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 17.4 tttp -66.72 -33.11 74.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.808 0.337 . . . . 0.0 110.923 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -87.31 -13.65 43.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.121 179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.637 ' CD2' HD12 ' A' ' 55' ' ' LEU . 10.3 m-85 -111.98 4.12 17.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -51.78 -39.84 59.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -82.04 -18.48 43.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.637 HD12 ' CD2' ' A' ' 52' ' ' PHE . 87.0 mt -79.35 150.49 31.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -132.22 171.09 14.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.055 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.458 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -42.03 -57.55 3.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -53.09 -57.51 10.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.784 0.326 . . . . 0.0 110.903 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 62' ' ' ALA . 4.5 mm-40 -46.57 -63.21 1.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 32' ' ' VAL . 4.9 mp -38.93 -55.95 1.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.886 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 6.1 m -67.4 -25.71 66.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.92 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.478 ' N ' ' O ' ' A' ' 59' ' ' GLU . . . -85.22 -11.55 54.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.12 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' GLU . 26.2 mtm -82.04 -178.92 7.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.897 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.499 ' O ' ' N ' ' A' ' 67' ' ' GLN . 12.8 m -129.12 148.91 51.11 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 64' ' ' SER . 12.2 tt0 -34.4 -55.96 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -53.7 -41.44 66.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.499 ' N ' ' O ' ' A' ' 64' ' ' SER . 29.7 mm-40 -58.35 -44.6 88.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.412 ' HD2' HD12 ' A' ' 79' ' ' LEU . 29.5 m-85 -63.84 -27.17 68.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -84.14 -21.27 31.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -69.49 -27.52 65.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.933 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.564 ' HD2' ' CZ ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -104.49 -26.24 12.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.865 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.424 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 14.6 t -134.98 95.3 15.39 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.679 0.752 . . . . 0.0 110.879 -179.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 53.5 Cg_endo -69.75 -50.18 0.49 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 74' ' ' LEU . 1.2 mt -62.69 -16.98 59.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.509 ' C ' HG12 ' A' ' 78' ' ' VAL . . . -126.14 -86.59 0.61 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.488 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 48.53 -91.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' GLY . 22.1 t70 -38.96 -51.64 1.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.607 HG21 HD11 ' A' ' 45' ' ' LEU . 3.5 p -43.48 -47.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.092 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.554 HD11 ' SD ' ' A' ' 48' ' ' MET . 50.3 mt -64.02 -64.81 0.79 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -51.78 -24.38 5.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -81.39 -67.57 0.77 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.069 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -57.54 -12.68 2.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.525 ' HB2' ' CZ2' ' A' ' 35' ' ' TRP . 61.5 tp -86.99 -41.72 13.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.416 ' HA ' ' CD ' ' A' ' 87' ' ' LYS . 36.1 t0 -43.6 -43.07 5.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.737 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.2 mp -56.66 -37.26 51.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.474 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.4 m95 -74.71 -66.09 0.79 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.921 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.3 ptpt -46.4 -41.39 13.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.867 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.6 t -60.21 -44.6 95.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.839 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -75.9 -26.0 56.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.061 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.51 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -84.35 -18.71 35.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.085 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 32.1 t -99.68 39.08 1.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.88 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 49.83 -176.5 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.523 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 171.04 15.11 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.684 2.256 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.0 t 54.41 42.75 31.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 78.5 p -103.41 42.2 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.8 p -85.61 -49.83 7.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.88 0.371 . . . . 0.0 110.851 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -128.87 80.31 1.96 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.837 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 39.01 66.32 0.69 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.8 t -120.97 130.2 53.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.352 . . . . 0.0 110.853 -179.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 t -148.62 145.7 27.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.04 -77.0 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.462 ' HB3' ' HB1' ' A' ' 89' ' ' ALA . 3.1 pp -52.84 -16.0 0.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -44.84 -29.43 0.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 28.2 m-20 -87.65 -28.29 21.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.876 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.511 HD13 ' HA ' ' A' ' 86' ' ' TRP . 88.4 mt -61.45 -52.59 59.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -54.19 -39.14 66.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -56.67 -27.78 59.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.156 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.495 ' O ' ' CD1' ' A' ' 17' ' ' LEU . . . -92.12 -12.51 32.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.098 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . 0.491 ' SG ' ' CZ3' ' A' ' 86' ' ' TRP . 20.9 m -94.36 -10.49 32.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.859 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -74.25 -44.9 51.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.907 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.829 ' C ' HD22 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -80.21 -6.63 58.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.893 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.527 HD22 ' HB3' ' A' ' 34' ' ' LYS . 87.5 mt -106.88 -18.11 14.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 16.5 t-20 62.44 43.32 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.451 HG23 ' HD3' ' A' ' 34' ' ' LYS . 13.1 pt -122.01 -177.4 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.161 179.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 23' ' ' ASP . 12.1 t -97.94 131.29 44.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -43.74 -30.41 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.074 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.595 ' O ' HG23 ' A' ' 21' ' ' THR . 32.2 t0 -80.45 119.75 77.28 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.592 0.71 . . . . 0.0 110.846 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.524 ' HA ' ' CD2' ' A' ' 27' ' ' TRP . 54.0 Cg_endo -69.79 -33.56 16.22 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.356 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.5 mtp -71.09 -5.61 32.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.582 ' CB ' HG21 ' A' ' 21' ' ' THR . 5.0 m-20 -105.6 -8.33 18.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TRP . . . . . 0.736 ' CH2' ' CG ' ' A' ' 35' ' ' TRP . 25.1 m0 -50.35 109.65 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.538 ' HA ' ' C ' ' A' ' 29' ' ' PRO . 2.1 p -170.7 155.19 4.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.718 0.771 . . . . 0.0 110.872 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 28' ' ' SER . 53.7 Cg_endo -69.78 -51.18 0.16 OUTLIER 'Cis proline' 0 C--O 1.232 0.185 0 C-N-CA 122.653 -1.811 . . . . 0.0 112.313 -0.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 26.7 m -115.22 39.0 3.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.916 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.9 m-20 -66.74 -29.66 69.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.493 HG13 HD21 ' A' ' 60' ' ' LEU . 26.1 t -48.57 -53.42 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.105 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLN . . . . . 0.426 ' NE2' ' HA ' ' A' ' 53' ' ' GLN . 2.6 mm100 -44.14 -39.04 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.928 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.527 ' HB3' HD22 ' A' ' 18' ' ' LEU . 8.3 mtpt -62.0 -48.1 81.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TRP . . . . . 0.736 ' CG ' ' CH2' ' A' ' 27' ' ' TRP . 65.9 t90 -67.71 -13.75 62.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 85.7 mt -88.5 -65.32 1.03 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.914 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' C ' HD12 ' A' ' 37' ' ' LEU . 4.6 pp -51.98 -19.53 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 24.5 t-105 -70.97 -70.18 0.32 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.897 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.603 HG23 ' CE1' ' A' ' 43' ' ' TYR . 18.1 m -66.45 -33.3 75.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.195 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -51.13 -35.25 34.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 41' ' ' HIS . 5.1 t60 -84.27 -16.69 42.23 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -93.35 -13.24 28.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.768 ' HB3' HD21 ' A' ' 45' ' ' LEU . 3.4 m-85 -123.24 -0.25 8.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.913 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 6.7 mmt85 60.8 45.09 10.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.768 HD21 ' HB3' ' A' ' 43' ' ' TYR . 1.4 mt -91.37 155.73 44.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.602 0.715 . . . . 0.0 110.948 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 170.43 16.7 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.315 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 98.46 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.703 2.269 . . . . 0.0 112.333 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.464 ' HE1' HD13 ' A' ' 45' ' ' LEU . 10.7 mtt -91.35 -25.76 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -39.14 -36.94 0.6 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.512 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -68.95 -39.69 79.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.834 0.349 . . . . 0.0 110.944 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 48' ' ' MET . . . -77.59 -29.5 52.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.101 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.635 ' CD2' HD12 ' A' ' 55' ' ' LEU . 4.7 m-85 -104.84 10.23 34.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.426 ' HA ' ' NE2' ' A' ' 33' ' ' GLN . 9.4 pt20 -55.27 -35.48 65.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.947 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -89.31 -22.08 22.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.635 HD12 ' CD2' ' A' ' 52' ' ' PHE . 85.0 mt -71.82 151.33 43.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.574 ' O ' HD13 ' A' ' 60' ' ' LEU . . . -126.55 -176.16 3.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.059 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.516 ' CA ' ' HB2' ' A' ' 27' ' ' TRP . . . -55.43 -56.01 25.68 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.466 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -55.53 -54.0 49.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.789 0.328 . . . . 0.0 110.959 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -48.51 -59.77 3.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.574 HD13 ' O ' ' A' ' 56' ' ' ALA . 8.4 mp -43.98 -56.65 3.81 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.8 m -65.36 -27.84 68.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.23 -16.65 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.099 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.448 ' SD ' ' NH1' ' A' ' 71' ' ' ARG . 23.3 mtm -76.51 -175.49 3.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 67' ' ' GLN . 9.4 m -131.5 148.64 52.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' C ' ' O ' ' A' ' 64' ' ' SER . 15.9 tt0 -34.83 -59.5 0.48 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -50.9 -41.71 58.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' SER . 12.9 mm-40 -59.38 -44.07 92.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -62.9 -24.8 68.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 25.9 mtp180 -86.96 -19.88 28.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -68.5 -27.16 65.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.586 ' CD ' ' CZ ' ' A' ' 52' ' ' PHE . 2.2 ptp85 -104.59 -28.4 11.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.425 ' HA ' ' HD2' ' A' ' 73' ' ' PRO . 16.9 t -131.53 95.95 22.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.709 0.766 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 72' ' ' SER . 54.1 Cg_endo -69.78 -48.16 0.77 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.686 2.258 . . . . 0.0 112.348 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.3 mt -63.91 -22.96 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.484 ' O ' ' N ' ' A' ' 77' ' ' ASP . . . -120.49 -86.37 0.93 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.472 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 46.63 -89.74 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.508 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' GLY . 2.0 p-10 -40.93 -40.29 1.36 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 110.87 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.466 HG11 HD11 ' A' ' 45' ' ' LEU . 19.8 t -53.04 -53.3 22.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.462 HD11 ' SD ' ' A' ' 48' ' ' MET . 95.7 mt -57.86 -64.36 0.93 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.92 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' CE1' ' HB2' ' A' ' 65' ' ' GLU . 54.7 t-80 -48.88 -28.17 3.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -77.86 -67.54 0.72 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -58.16 -12.64 3.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.836 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.501 ' HB2' ' CH2' ' A' ' 35' ' ' TRP . 48.4 tp -86.34 -39.92 15.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -45.82 -46.42 15.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.747 ' H ' HD12 ' A' ' 85' ' ' ILE . 5.0 mp -54.43 -37.14 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.163 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.511 ' HA ' HD13 ' A' ' 11' ' ' ILE . 18.5 m95 -75.0 -67.19 0.67 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.96 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.407 ' N ' ' HG3' ' A' ' 24' ' ' PRO . 4.7 ptpt -47.25 -40.24 16.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 9.4 t -61.88 -44.06 97.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.462 ' HB1' ' HB3' ' A' ' 8' ' ' LEU . . . -76.5 -26.01 54.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.104 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.427 ' CB ' ' HD2' ' A' ' 24' ' ' PRO . . . -82.31 -19.89 38.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.129 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.1 t -96.21 31.86 2.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 79.37 162.91 25.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -1.38 8.35 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.259 . . . . 0.0 112.316 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 68.1 p -39.74 155.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.4 m -37.51 -54.91 1.12 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.484 -179.978 . . . . . . . . 0 0 . 1 stop_ save_